trans-Bis{1-[3-(cyclo­hexyl­amino)­propyl­imino­methyl]-2-naphtholato-κ3O,N,N′}cobalt(III) perchlorate

Li, S.-Y.; You, Z.-L.; Chen, B.; Lin, Y.-S.; Xiong, Z.-D.; Zhu, H.-L.

doi:10.1107/S1600536804014990

trans-Bis{1-[3-(cyclohexylamino)propyliminomethyl]-2-naphtholato-κ³O,N,N′}cobalt(III) perchlorate

S.-Y. Li, Z.-L. You, B. Chen, Y.-S. Lin, Z.-D. Xiong and H.-L. Zhu

In the title compound, [Co(C₂₀H₂₅N₂O)₂]ClO₄, there are two independent centrosymmetric molecules of the cation, in which the central Co^III atoms are six-coordinated by four N atoms and two O atoms from two Schiff bases, giving approximately octahedral coordination environments.

Read article Similar articles

Supporting information

	Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536804014990/lh6230sup1.cif Contains datablocks global, I
	Structure factor file (CIF format) https://doi.org/10.1107/S1600536804014990/lh6230Isup2.hkl Contains datablock I

CCDC reference: 245154

checkCIF report

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.009 Å
R factor = 0.105
wR factor = 0.231
Data-to-parameter ratio = 14.9

checkCIF/PLATON results

No syntax errors found



Alert level A
PLAT241_ALERT_2_A Check High   U(eq) as Compared to Neighbors ....         O3

Author Response: The atom O3 belongs to a disordered perchlorate anion. Large displacement parameters are quite usual for these types of molecules, especially when disordered.

PLAT241_ALERT_2_A Check High   U(eq) as Compared to Neighbors ....        O4A

Author Response: The atom O3 belongs to a disordered perchlorate anion. Large displacement parameters are quite usual for these types of molecules, especially when disordered.

PLAT241_ALERT_2_A Check High   U(eq) as Compared to Neighbors ....         O5

Author Response: The atom O3 belongs to a disordered perchlorate anion. Large displacement parameters are quite usual for these types of molecules, especially when disordered.

PLAT241_ALERT_2_A Check High   U(eq) as Compared to Neighbors ....         O6

Author Response: The atom O3 belongs to a disordered perchlorate anion. Large displacement parameters are quite usual for these types of molecules, especially when disordered.

PLAT242_ALERT_2_A Check Low    U(eq) as Compared to Neighbors ....        Cl1

Author Response: (see above) The atom Cl1 belongs to the disordered perchlorate anion.

 Other Alerts are generated by the CheckCIF routine because of this
 feature.


PLAT242_ALERT_2_A Check Low    U(eq) as Compared to Neighbors ....       Cl1A

Author Response: (see above) The atom Cl1 belongs to the disordered perchlorate anion.

 Other Alerts are generated by the CheckCIF routine because of this
 feature.



Alert level B
PLAT241_ALERT_2_B Check High   U(eq) as Compared to Neighbors ....        O5A

Author Response: The atom O3 belongs to a disordered perchlorate anion. Large displacement parameters are quite usual for these types of molecules, especially when disordered.


Alert level C
RFACG01_ALERT_3_C  The value of the R factor is > 0.10
            R factor given   0.105
PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low .......       0.98
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density ....       3.63
PLAT215_ALERT_3_C Disordered O4A     has ADP max/min Ratio .......       3.50
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       2.74 Ratio
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors ....        C18

Author Response: The atom O3 belongs to a disordered perchlorate anion. Large displacement parameters are quite usual for these types of molecules, especially when disordered.

PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors ....        C33

Author Response: The atom O3 belongs to a disordered perchlorate anion. Large displacement parameters are quite usual for these types of molecules, especially when disordered.

PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors ....        C35

Author Response: (see above) The atom Cl1 belongs to the disordered perchlorate anion.

 Other Alerts are generated by the CheckCIF routine because of this
 feature.


PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors ....        O3A

Author Response: (see above) The atom Cl1 belongs to the disordered perchlorate anion.

 Other Alerts are generated by the CheckCIF routine because of this
 feature.


PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors ....        O6A

Author Response: (see above) The atom Cl1 belongs to the disordered perchlorate anion.

 Other Alerts are generated by the CheckCIF routine because of this
 feature.


PLAT301_ALERT_3_C Main Residue  Disorder .........................       5.00 Perc.
PLAT313_ALERT_2_C Oxygen with three covalent bonds (rare) ........         O3
PLAT313_ALERT_2_C Oxygen with three covalent bonds (rare) ........        O5A
PLAT341_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...          9
PLAT420_ALERT_2_C D-H Without Acceptor       N2     -   H2     ...          ?
PLAT420_ALERT_2_C D-H Without Acceptor       N4     -   H4     ...          ?

   6 ALERT level A = In general: serious problem
   1 ALERT level B = Potentially serious problem
  17 ALERT level C = Check and explain
   0 ALERT level G = General alerts; check

   1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
  18 ALERT type 2 Indicator that the structure model may be wrong or deficient
   5 ALERT type 3 Indicator that the structure quality may be low
   0 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: SMART (Siemens, 1996); cell refinement: SAINT; data reduction: SAINT (Siemens, 1996); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997a); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997a); molecular graphics: SHELXTL (Sheldrick, 1997b); software used to prepare material for publication: SHELXTL.

trans-Bis{1-[3-(cyclohexylamino)propyliminomethyl]-2-naphtholato- κ³O,N,N'}cobalt(III) perchlorate top

Crystal data top

[Co(C₂₀H₂₅N₂O)₂]ClO₄	F(000) = 1640
M_r = 777.22	D_x = 1.354 Mg m⁻³
Monoclinic, P2₁/n	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2yn	Cell parameters from 3603 reflections
a = 12.167 (2) Å	θ = 2.2–18.5°
b = 17.195 (2) Å	µ = 0.57 mm⁻¹
c = 19.128 (2) Å	T = 293 K
β = 107.640 (2)°	Block, brown
V = 3813.6 (9) Å³	0.28 × 0.22 × 0.17 mm
Z = 4

Data collection top

Bruker SMART CCD diffractometer	7707 independent reflections
Radiation source: fine-focus sealed tube	5356 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.088
ω scans	θ_max = 26.5°, θ_min = 2.1°
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)	h = −15→15
T_min = 0.856, T_max = 0.909	k = −21→21
38653 measured reflections	l = −24→23

Refinement top

Refinement on F²	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F² > 2σ(F²)] = 0.105	Hydrogen site location: inferred from neighbouring sites
wR(F²) = 0.231	H-atom parameters constrained
S = 1.16	w = 1/[σ²(F_o²) + (0.0877P)² + 4.2908P] where P = (F_o² + 2F_c²)/3
7707 reflections	(Δ/σ)_max < 0.001
517 parameters	Δρ_max = 1.24 e Å⁻³
21 restraints	Δρ_min = −0.34 e Å⁻³

Special details top

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > σ(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å²) top

	x	y	z	U_iso*/U_eq	Occ. (<1)
Co1	1.0000	1.0000	0.0000	0.0343 (3)
O1	1.0945 (3)	0.95785 (19)	0.08938 (18)	0.0387 (8)
N1	0.9344 (3)	1.0728 (2)	0.0533 (2)	0.0394 (10)
N2	0.8711 (3)	0.9234 (2)	−0.0057 (2)	0.0385 (10)
H2	0.8641	0.8999	−0.0495	0.046*
C1	1.0971 (4)	1.0690 (3)	0.1648 (3)	0.0392 (12)
C2	1.1397 (4)	0.9979 (3)	0.1491 (3)	0.0396 (11)
C3	1.2386 (4)	0.9660 (3)	0.2017 (3)	0.0444 (12)
H3A	1.2660	0.9177	0.1928	0.053*
C4	1.2936 (5)	1.0043 (3)	0.2641 (3)	0.0523 (14)
H4A	1.3582	0.9816	0.2970	0.063*
C5	1.3163 (5)	1.1192 (4)	0.3435 (3)	0.0581 (16)
H5A	1.3816	1.0971	0.3762	0.070*
C6	1.2823 (5)	1.1912 (4)	0.3582 (3)	0.0606 (17)
H6A	1.3233	1.2173	0.4006	0.073*
C7	1.1860 (6)	1.2255 (4)	0.3092 (4)	0.0598 (16)
H7A	1.1632	1.2751	0.3185	0.072*
C8	1.1237 (5)	1.1858 (4)	0.2467 (3)	0.0531 (14)
H8A	1.0588	1.2090	0.2146	0.064*
C9	1.2566 (4)	1.0774 (3)	0.2811 (3)	0.0426 (12)
C10	1.1567 (4)	1.1117 (3)	0.2309 (3)	0.0405 (12)
C11	0.9853 (4)	1.0954 (3)	0.1187 (3)	0.0443 (13)
H11A	0.9473	1.1322	0.1386	0.053*
C12	0.8111 (4)	1.0939 (3)	0.0219 (3)	0.0482 (14)
H12A	0.7953	1.1093	−0.0290	0.058*
H12B	0.7925	1.1372	0.0488	0.058*
C13	0.7390 (4)	1.0243 (4)	0.0271 (3)	0.0551 (15)
H13A	0.6587	1.0399	0.0122	0.066*
H13B	0.7593	1.0083	0.0780	0.066*
C14	0.7514 (4)	0.9547 (3)	−0.0186 (3)	0.0476 (14)
H14A	0.7035	0.9131	−0.0097	0.057*
H14B	0.7210	0.9689	−0.0700	0.057*
C15	0.9013 (4)	0.8550 (3)	0.0457 (3)	0.0425 (12)
H15A	0.9840	0.8452	0.0558	0.051*
C16	0.8805 (5)	0.8679 (4)	0.1178 (3)	0.0566 (15)
H16A	0.7992	0.8778	0.1101	0.068*
H16B	0.9236	0.9130	0.1418	0.068*
C17	0.9178 (6)	0.7968 (5)	0.1663 (4)	0.086 (2)
H17A	1.0003	0.7893	0.1768	0.103*
H17B	0.9019	0.8050	0.2124	0.103*
C18	0.8546 (7)	0.7251 (5)	0.1289 (6)	0.108 (3)
H18A	0.7728	0.7311	0.1222	0.129*
H18B	0.8816	0.6802	0.1599	0.129*
C19	0.8730 (6)	0.7116 (4)	0.0549 (5)	0.084 (2)
H19A	0.9536	0.7001	0.0616	0.101*
H19B	0.8274	0.6675	0.0308	0.101*
C20	0.8380 (5)	0.7829 (3)	0.0081 (4)	0.0643 (17)
H20A	0.7556	0.7908	−0.0027	0.077*
H20B	0.8542	0.7751	−0.0380	0.077*
Co2	0.5000	0.5000	0.0000	0.0436 (3)
O2	0.6070 (3)	0.5363 (2)	−0.0464 (2)	0.0528 (10)
N3	0.4999 (4)	0.6005 (3)	0.0439 (2)	0.0442 (11)
N4	0.6334 (4)	0.4694 (3)	0.0877 (2)	0.0597 (13)
H4	0.6020	0.4289	0.1057	0.072*
C21	0.5526 (4)	0.6699 (3)	−0.0520 (3)	0.0399 (12)
C22	0.6034 (5)	0.6060 (3)	−0.0742 (3)	0.0454 (13)
C23	0.6585 (5)	0.6168 (4)	−0.1293 (3)	0.0581 (16)
H23A	0.6981	0.5756	−0.1419	0.070*
C24	0.6546 (5)	0.6852 (4)	−0.1633 (3)	0.0560 (15)
H24A	0.6927	0.6903	−0.1985	0.067*
C25	0.5859 (5)	0.8202 (4)	−0.1865 (3)	0.0585 (16)
H25A	0.6214	0.8250	−0.2231	0.070*
C26	0.5256 (6)	0.8821 (4)	−0.1710 (4)	0.0659 (18)
H26A	0.5184	0.9279	−0.1979	0.079*
C27	0.4752 (6)	0.8757 (4)	−0.1144 (4)	0.0621 (16)
H27A	0.4361	0.9178	−0.1028	0.075*
C28	0.4831 (5)	0.8079 (3)	−0.0764 (3)	0.0503 (14)
H28A	0.4472	0.8043	−0.0400	0.060*
C29	0.5435 (4)	0.7436 (3)	−0.0905 (3)	0.0419 (12)
C30	0.5947 (4)	0.7496 (3)	−0.1478 (3)	0.0463 (13)
C31	0.5200 (4)	0.6644 (3)	0.0145 (3)	0.0433 (13)
H31A	0.5129	0.7106	0.0381	0.052*
C32	0.4838 (6)	0.6058 (4)	0.1166 (3)	0.0578 (16)
H32A	0.4049	0.5922	0.1129	0.069*
H32B	0.4968	0.6590	0.1340	0.069*
C33	0.5654 (8)	0.5523 (5)	0.1716 (4)	0.093 (3)
H33A	0.5957	0.5802	0.2174	0.112*
H33B	0.5214	0.5085	0.1808	0.112*
C34	0.6615 (7)	0.5224 (4)	0.1501 (4)	0.073 (2)
H34A	0.7132	0.4958	0.1919	0.088*
H34B	0.7033	0.5663	0.1388	0.088*
C35	0.7352 (5)	0.4297 (3)	0.0725 (3)	0.0450 (13)
H35A	0.7095	0.4136	0.0209	0.054*
C36	0.8405 (6)	0.4807 (3)	0.0826 (4)	0.0623 (17)
H36A	0.8197	0.5268	0.0521	0.075*
H36B	0.8700	0.4972	0.1333	0.075*
C37	0.9324 (6)	0.4355 (5)	0.0614 (4)	0.082 (2)
H37A	0.9038	0.4216	0.0099	0.099*
H37B	0.9999	0.4681	0.0683	0.099*
C38	0.9660 (6)	0.3628 (5)	0.1066 (5)	0.098 (3)
H38A	1.0008	0.3765	0.1577	0.118*
H38B	1.0224	0.3339	0.0904	0.118*
C39	0.8603 (6)	0.3128 (4)	0.0985 (5)	0.091 (3)
H39A	0.8309	0.2946	0.0482	0.110*
H39B	0.8819	0.2676	0.1300	0.110*
C40	0.7675 (5)	0.3563 (3)	0.1180 (4)	0.0656 (18)
H40A	0.7939	0.3699	0.1696	0.079*
H40B	0.7000	0.3234	0.1097	0.079*
Cl1	0.9433 (9)	0.3785 (6)	0.3403 (6)	0.066 (3)	0.50
O3	0.9113 (17)	0.3096 (8)	0.3110 (12)	0.160 (12)	0.50
O4	0.8611 (12)	0.4295 (8)	0.3117 (8)	0.128 (6)	0.50
O5	1.0386 (16)	0.4001 (10)	0.3265 (16)	0.210 (17)	0.50
O6	0.962 (2)	0.3748 (14)	0.4117 (8)	0.259 (17)	0.50
Cl1A	0.9671 (8)	0.3704 (6)	0.3553 (5)	0.059 (2)	0.50
O3A	1.0713 (12)	0.3486 (11)	0.4010 (8)	0.129 (6)	0.50
O4A	0.919 (2)	0.4248 (11)	0.392 (2)	0.225 (17)	0.50
O5A	0.9854 (18)	0.3954 (17)	0.2871 (9)	0.147 (9)	0.50
O6A	0.9050 (17)	0.3040 (10)	0.3470 (12)	0.119 (8)	0.50

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Co1	0.0228 (4)	0.0319 (5)	0.0451 (6)	0.0038 (4)	0.0057 (4)	0.0083 (4)
O1	0.0312 (17)	0.0343 (19)	0.042 (2)	0.0047 (14)	−0.0007 (15)	0.0099 (16)
N1	0.028 (2)	0.037 (2)	0.049 (3)	0.0064 (17)	0.0057 (19)	0.004 (2)
N2	0.029 (2)	0.036 (2)	0.047 (2)	−0.0017 (17)	0.0065 (18)	0.0033 (19)
C1	0.033 (3)	0.043 (3)	0.042 (3)	0.001 (2)	0.011 (2)	0.010 (2)
C2	0.033 (2)	0.037 (3)	0.048 (3)	−0.004 (2)	0.011 (2)	0.017 (3)
C3	0.034 (3)	0.048 (3)	0.047 (3)	0.009 (2)	0.005 (2)	0.014 (3)
C4	0.044 (3)	0.063 (4)	0.044 (3)	0.005 (3)	0.005 (2)	0.025 (3)
C5	0.051 (3)	0.077 (5)	0.042 (3)	−0.012 (3)	0.008 (3)	0.008 (3)
C6	0.058 (4)	0.079 (5)	0.044 (3)	−0.017 (3)	0.014 (3)	−0.012 (3)
C7	0.065 (4)	0.058 (4)	0.064 (4)	−0.010 (3)	0.032 (3)	−0.011 (3)
C8	0.040 (3)	0.066 (4)	0.054 (4)	−0.004 (3)	0.015 (3)	0.000 (3)
C9	0.041 (3)	0.051 (3)	0.036 (3)	−0.005 (2)	0.011 (2)	0.010 (2)
C10	0.041 (3)	0.044 (3)	0.038 (3)	−0.002 (2)	0.014 (2)	0.009 (2)
C11	0.037 (3)	0.038 (3)	0.057 (4)	0.007 (2)	0.014 (3)	0.006 (3)
C12	0.034 (3)	0.048 (3)	0.060 (4)	0.014 (2)	0.010 (3)	0.004 (3)
C13	0.027 (3)	0.069 (4)	0.068 (4)	0.013 (3)	0.013 (3)	0.011 (3)
C14	0.029 (3)	0.050 (3)	0.060 (3)	0.000 (2)	0.009 (2)	0.016 (3)
C15	0.029 (2)	0.035 (3)	0.058 (3)	0.002 (2)	0.004 (2)	0.013 (2)
C16	0.044 (3)	0.065 (4)	0.058 (4)	−0.006 (3)	0.011 (3)	0.011 (3)
C17	0.069 (5)	0.105 (6)	0.073 (5)	0.000 (4)	0.006 (4)	0.046 (4)
C18	0.082 (5)	0.072 (5)	0.150 (9)	−0.017 (4)	0.006 (6)	0.064 (6)
C19	0.065 (5)	0.050 (4)	0.114 (7)	−0.013 (3)	−0.005 (4)	0.023 (4)
C20	0.050 (3)	0.052 (4)	0.078 (5)	−0.007 (3)	0.000 (3)	0.007 (3)
Co2	0.0567 (6)	0.0496 (6)	0.0271 (5)	0.0174 (5)	0.0168 (4)	0.0025 (4)
O2	0.066 (2)	0.060 (2)	0.041 (2)	0.022 (2)	0.0288 (19)	0.0080 (19)
N3	0.055 (3)	0.052 (3)	0.029 (2)	0.015 (2)	0.018 (2)	−0.001 (2)
N4	0.065 (3)	0.076 (3)	0.036 (3)	0.022 (3)	0.011 (2)	0.002 (2)
C21	0.036 (3)	0.049 (3)	0.035 (3)	0.003 (2)	0.012 (2)	−0.006 (2)
C22	0.047 (3)	0.058 (4)	0.033 (3)	0.010 (3)	0.014 (2)	0.006 (3)
C23	0.068 (4)	0.069 (4)	0.047 (3)	0.016 (3)	0.030 (3)	0.003 (3)
C24	0.059 (4)	0.077 (4)	0.042 (3)	−0.002 (3)	0.029 (3)	−0.006 (3)
C25	0.066 (4)	0.063 (4)	0.049 (4)	−0.025 (3)	0.021 (3)	−0.002 (3)
C26	0.088 (5)	0.047 (4)	0.062 (4)	−0.018 (3)	0.020 (4)	−0.002 (3)
C27	0.072 (4)	0.054 (4)	0.065 (4)	−0.012 (3)	0.027 (3)	−0.009 (3)
C28	0.051 (3)	0.049 (3)	0.055 (3)	−0.010 (3)	0.022 (3)	−0.002 (3)
C29	0.034 (3)	0.055 (3)	0.036 (3)	−0.013 (2)	0.010 (2)	−0.010 (2)
C30	0.042 (3)	0.058 (4)	0.038 (3)	−0.012 (3)	0.011 (2)	−0.006 (3)
C31	0.042 (3)	0.054 (3)	0.032 (3)	0.006 (2)	0.008 (2)	−0.007 (2)
C32	0.078 (4)	0.066 (4)	0.039 (3)	0.019 (3)	0.031 (3)	−0.001 (3)
C33	0.131 (7)	0.110 (6)	0.035 (3)	0.056 (6)	0.022 (4)	0.002 (4)
C34	0.094 (5)	0.070 (4)	0.045 (4)	0.015 (4)	0.006 (3)	−0.015 (3)
C35	0.051 (3)	0.044 (3)	0.037 (3)	0.009 (2)	0.008 (2)	−0.002 (2)
C36	0.078 (4)	0.048 (3)	0.058 (4)	−0.013 (3)	0.018 (3)	0.003 (3)
C37	0.057 (4)	0.116 (7)	0.075 (5)	−0.017 (4)	0.021 (4)	−0.020 (5)
C38	0.057 (5)	0.110 (7)	0.118 (7)	0.024 (5)	0.010 (4)	−0.020 (6)
C39	0.078 (5)	0.052 (4)	0.119 (7)	0.021 (4)	−0.007 (5)	−0.009 (4)
C40	0.056 (4)	0.042 (3)	0.085 (5)	−0.010 (3)	0.000 (3)	0.009 (3)
Cl1	0.064 (4)	0.066 (4)	0.061 (4)	0.000 (3)	0.008 (3)	0.007 (3)
O3	0.20 (2)	0.110 (17)	0.122 (19)	−0.025 (14)	−0.025 (15)	−0.004 (13)
O4	0.163 (15)	0.114 (11)	0.087 (9)	0.032 (10)	0.007 (9)	0.004 (8)
O5	0.15 (2)	0.104 (13)	0.45 (5)	0.007 (13)	0.19 (3)	0.05 (2)
O6	0.34 (4)	0.34 (4)	0.051 (10)	0.05 (3)	−0.019 (16)	0.001 (16)
Cl1A	0.059 (4)	0.064 (4)	0.064 (5)	−0.008 (3)	0.030 (4)	0.004 (3)
O3A	0.089 (9)	0.191 (16)	0.086 (9)	0.024 (10)	−0.006 (7)	−0.056 (10)
O4A	0.22 (2)	0.105 (13)	0.46 (5)	−0.020 (14)	0.27 (3)	−0.08 (2)
O5A	0.120 (15)	0.24 (2)	0.079 (9)	−0.047 (14)	0.032 (9)	0.052 (11)
O6A	0.115 (12)	0.081 (11)	0.15 (2)	−0.025 (8)	0.022 (12)	0.043 (12)

Geometric parameters (Å, º) top

Co1—O1	1.892 (3)	Co2—N4	2.019 (5)
Co1—O1ⁱ	1.892 (3)	Co2—N4ⁱⁱ	2.019 (4)
Co1—N1ⁱ	1.933 (4)	O2—C22	1.307 (6)
Co1—N1	1.933 (4)	N3—C31	1.289 (7)
Co1—N2	2.026 (4)	N3—C32	1.465 (6)
Co1—N2ⁱ	2.026 (4)	N4—C34	1.458 (8)
O1—C2	1.304 (6)	N4—C35	1.517 (7)
N1—C11	1.276 (7)	N4—H4	0.9100
N1—C12	1.483 (6)	C21—C22	1.390 (7)
N2—C14	1.501 (6)	C21—C31	1.448 (7)
N2—C15	1.505 (6)	C21—C29	1.451 (7)
N2—H2	0.9100	C22—C23	1.422 (7)
C1—C2	1.395 (7)	C23—C24	1.337 (8)
C1—C10	1.451 (7)	C23—H23A	0.9300
C1—C11	1.452 (7)	C24—C30	1.407 (8)
C2—C3	1.424 (7)	C24—H24A	0.9300
C3—C4	1.351 (8)	C25—C26	1.375 (9)
C3—H3A	0.9300	C25—C30	1.409 (8)
C4—C9	1.405 (8)	C25—H25A	0.9300
C4—H4A	0.9300	C26—C27	1.401 (9)
C5—C6	1.362 (9)	C26—H26A	0.9300
C5—C9	1.393 (8)	C27—C28	1.361 (8)
C5—H5A	0.9300	C27—H27A	0.9300
C6—C7	1.390 (9)	C28—C29	1.398 (8)
C6—H6A	0.9300	C28—H28A	0.9300
C7—C8	1.386 (8)	C29—C30	1.419 (7)
C7—H7A	0.9300	C31—H31A	0.9300
C8—C10	1.398 (8)	C32—C33	1.519 (9)
C8—H8A	0.9300	C32—H32A	0.9700
C9—C10	1.428 (7)	C32—H32B	0.9700
C11—H11A	0.9300	C33—C34	1.445 (10)
C12—C13	1.504 (8)	C33—H33A	0.9700
C12—H12A	0.9700	C33—H33B	0.9700
C12—H12B	0.9700	C34—H34A	0.9700
C13—C14	1.516 (8)	C34—H34B	0.9700
C13—H13A	0.9700	C35—C36	1.516 (8)
C13—H13B	0.9700	C35—C40	1.517 (8)
C14—H14A	0.9700	C35—H35A	0.9800
C14—H14B	0.9700	C36—C37	1.515 (9)
C15—C16	1.492 (8)	C36—H36A	0.9700
C15—C20	1.521 (8)	C36—H36B	0.9700
C15—H15A	0.9800	C37—C38	1.503 (11)
C16—C17	1.518 (9)	C37—H37A	0.9700
C16—H16A	0.9700	C37—H37B	0.9700
C16—H16B	0.9700	C38—C39	1.516 (11)
C17—C18	1.514 (12)	C38—H38A	0.9700
C17—H17A	0.9700	C38—H38B	0.9700
C17—H17B	0.9700	C39—C40	1.493 (10)
C18—C19	1.516 (13)	C39—H39A	0.9700
C18—H18A	0.9700	C39—H39B	0.9700
C18—H18B	0.9700	C40—H40A	0.9700
C19—C20	1.502 (9)	C40—H40B	0.9700
C19—H19A	0.9700	Cl1—O3	1.318 (11)
C19—H19B	0.9700	Cl1—O6	1.318 (11)
C20—H20A	0.9700	Cl1—O5	1.318 (11)
C20—H20B	0.9700	Cl1—O4	1.318 (11)
Co2—O2ⁱⁱ	1.890 (4)	Cl1A—O6A	1.351 (17)
Co2—O2	1.890 (4)	Cl1A—O3A	1.357 (17)
Co2—N3ⁱⁱ	1.922 (4)	Cl1A—O4A	1.403 (19)
Co2—N3	1.922 (4)	Cl1A—O5A	1.453 (16)

O1—Co1—O1ⁱ	180	O2ⁱⁱ—Co2—N4	91.06 (19)
O1—Co1—N1ⁱ	89.65 (16)	O2—Co2—N4	88.94 (19)
O1ⁱ—Co1—N1ⁱ	90.35 (16)	N3ⁱⁱ—Co2—N4	91.2 (2)
O1—Co1—N1	90.35 (16)	N3—Co2—N4	88.8 (2)
O1ⁱ—Co1—N1	89.65 (16)	O2ⁱⁱ—Co2—N4ⁱⁱ	88.94 (19)
N1ⁱ—Co1—N1	180	O2—Co2—N4ⁱⁱ	91.06 (19)
O1—Co1—N2	92.75 (15)	N3ⁱⁱ—Co2—N4ⁱⁱ	88.8 (2)
O1ⁱ—Co1—N2	87.25 (15)	N3—Co2—N4ⁱⁱ	91.2 (2)
N1ⁱ—Co1—N2	89.25 (17)	N4—Co2—N4ⁱⁱ	180
N1—Co1—N2	90.75 (17)	C22—O2—Co2	123.4 (3)
O1—Co1—N2ⁱ	87.25 (15)	C31—N3—C32	117.2 (5)
O1ⁱ—Co1—N2ⁱ	92.75 (15)	C31—N3—Co2	123.4 (3)
N1ⁱ—Co1—N2ⁱ	90.75 (17)	C32—N3—Co2	119.2 (4)
N1—Co1—N2ⁱ	89.25 (17)	C34—N4—C35	115.9 (5)
N2—Co1—N2ⁱ	180	C34—N4—Co2	116.5 (4)
C2—O1—Co1	124.6 (3)	C35—N4—Co2	117.1 (3)
C11—N1—C12	116.9 (4)	C34—N4—H4	100.9
C11—N1—Co1	124.0 (3)	C35—N4—H4	100.9
C12—N1—Co1	118.2 (3)	Co2—N4—H4	100.9
C14—N2—C15	114.8 (4)	C22—C21—C31	118.8 (5)
C14—N2—Co1	118.2 (3)	C22—C21—C29	120.6 (5)
C15—N2—Co1	116.2 (3)	C31—C21—C29	120.3 (5)
C14—N2—H2	101.1	O2—C22—C21	124.4 (5)
C15—N2—H2	101.1	O2—C22—C23	117.2 (5)
Co1—N2—H2	101.1	C21—C22—C23	118.4 (5)
C2—C1—C10	120.7 (4)	C24—C23—C22	121.4 (6)
C2—C1—C11	119.0 (5)	C24—C23—H23A	119.3
C10—C1—C11	120.0 (5)	C22—C23—H23A	119.3
O1—C2—C1	124.5 (4)	C23—C24—C30	122.3 (5)
O1—C2—C3	117.2 (5)	C23—C24—H24A	118.9
C1—C2—C3	118.4 (5)	C30—C24—H24A	118.9
C4—C3—C2	121.5 (5)	C26—C25—C30	120.9 (6)
C4—C3—H3A	119.2	C26—C25—H25A	119.5
C2—C3—H3A	119.2	C30—C25—H25A	119.5
C3—C4—C9	122.2 (5)	C25—C26—C27	119.5 (6)
C3—C4—H4A	118.9	C25—C26—H26A	120.3
C9—C4—H4A	118.9	C27—C26—H26A	120.3
C6—C5—C9	122.2 (6)	C28—C27—C26	120.2 (6)
C6—C5—H5A	118.9	C28—C27—H27A	119.9
C9—C5—H5A	118.9	C26—C27—H27A	119.9
C5—C6—C7	119.5 (6)	C27—C28—C29	122.1 (6)
C5—C6—H6A	120.2	C27—C28—H28A	119.0
C7—C6—H6A	120.2	C29—C28—H28A	119.0
C8—C7—C6	120.1 (6)	C28—C29—C30	118.0 (5)
C8—C7—H7A	119.9	C28—C29—C21	123.8 (5)
C6—C7—H7A	119.9	C30—C29—C21	118.1 (5)
C7—C8—C10	121.2 (6)	C24—C30—C25	121.9 (5)
C7—C8—H8A	119.4	C24—C30—C29	118.9 (5)
C10—C8—H8A	119.4	C25—C30—C29	119.2 (5)
C5—C9—C4	122.6 (5)	N3—C31—C21	125.3 (5)
C5—C9—C10	118.7 (5)	N3—C31—H31A	117.3
C4—C9—C10	118.7 (5)	C21—C31—H31A	117.3
C8—C10—C9	118.2 (5)	N3—C32—C33	111.8 (5)
C8—C10—C1	123.3 (5)	N3—C32—H32A	109.2
C9—C10—C1	118.4 (5)	C33—C32—H32A	109.2
N1—C11—C1	125.9 (5)	N3—C32—H32B	109.2
N1—C11—H11A	117.1	C33—C32—H32B	109.2
C1—C11—H11A	117.1	H32A—C32—H32B	107.9
N1—C12—C13	108.5 (4)	C34—C33—C32	115.7 (6)
N1—C12—H12A	110.0	C34—C33—H33A	108.4
C13—C12—H12A	110.0	C32—C33—H33A	108.4
N1—C12—H12B	110.0	C34—C33—H33B	108.4
C13—C12—H12B	110.0	C32—C33—H33B	108.4
H12A—C12—H12B	108.4	H33A—C33—H33B	107.4
C12—C13—C14	115.3 (5)	C33—C34—N4	116.5 (6)
C12—C13—H13A	108.4	C33—C34—H34A	108.2
C14—C13—H13A	108.4	N4—C34—H34A	108.2
C12—C13—H13B	108.4	C33—C34—H34B	108.2
C14—C13—H13B	108.4	N4—C34—H34B	108.2
H13A—C13—H13B	107.5	H34A—C34—H34B	107.3
N2—C14—C13	116.7 (4)	C36—C35—C40	110.3 (5)
N2—C14—H14A	108.1	C36—C35—N4	115.0 (5)
C13—C14—H14A	108.1	C40—C35—N4	110.4 (5)
N2—C14—H14B	108.1	C36—C35—H35A	106.9
C13—C14—H14B	108.1	C40—C35—H35A	106.9
H14A—C14—H14B	107.3	N4—C35—H35A	106.9
C16—C15—N2	114.3 (4)	C37—C36—C35	109.4 (5)
C16—C15—C20	110.8 (5)	C37—C36—H36A	109.8
N2—C15—C20	109.8 (4)	C35—C36—H36A	109.8
C16—C15—H15A	107.2	C37—C36—H36B	109.8
N2—C15—H15A	107.2	C35—C36—H36B	109.8
C20—C15—H15A	107.2	H36A—C36—H36B	108.2
C15—C16—C17	110.0 (6)	C38—C37—C36	111.6 (6)
C15—C16—H16A	109.7	C38—C37—H37A	109.3
C17—C16—H16A	109.7	C36—C37—H37A	109.3
C15—C16—H16B	109.7	C38—C37—H37B	109.3
C17—C16—H16B	109.7	C36—C37—H37B	109.3
H16A—C16—H16B	108.2	H37A—C37—H37B	108.0
C18—C17—C16	110.6 (6)	C37—C38—C39	109.8 (6)
C18—C17—H17A	109.5	C37—C38—H38A	109.7
C16—C17—H17A	109.5	C39—C38—H38A	109.7
C18—C17—H17B	109.5	C37—C38—H38B	109.7
C16—C17—H17B	109.5	C39—C38—H38B	109.7
H17A—C17—H17B	108.1	H38A—C38—H38B	108.2
C17—C18—C19	111.6 (6)	C40—C39—C38	111.9 (6)
C17—C18—H18A	109.3	C40—C39—H39A	109.2
C19—C18—H18A	109.3	C38—C39—H39A	109.2
C17—C18—H18B	109.3	C40—C39—H39B	109.2
C19—C18—H18B	109.3	C38—C39—H39B	109.2
H18A—C18—H18B	108.0	H39A—C39—H39B	107.9
C20—C19—C18	109.6 (7)	C39—C40—C35	111.0 (6)
C20—C19—H19A	109.7	C39—C40—H40A	109.4
C18—C19—H19A	109.7	C35—C40—H40A	109.4
C20—C19—H19B	109.7	C39—C40—H40B	109.4
C18—C19—H19B	109.7	C35—C40—H40B	109.4
H19A—C19—H19B	108.2	H40A—C40—H40B	108.0
C19—C20—C15	111.8 (5)	O3—Cl1—O6	109.47 (14)
C19—C20—H20A	109.3	O3—Cl1—O5	109.51 (14)
C15—C20—H20A	109.3	O6—Cl1—O5	109.48 (14)
C19—C20—H20B	109.3	O3—Cl1—O4	109.47 (14)
C15—C20—H20B	109.3	O6—Cl1—O4	109.46 (13)
H20A—C20—H20B	107.9	O5—Cl1—O4	109.45 (14)
O2ⁱⁱ—Co2—O2	180	O6A—Cl1A—O3A	102.9 (13)
O2ⁱⁱ—Co2—N3ⁱⁱ	90.02 (18)	O6A—Cl1A—O4A	108.5 (12)
O2—Co2—N3ⁱⁱ	89.98 (18)	O3A—Cl1A—O4A	108.2 (17)
O2ⁱⁱ—Co2—N3	89.98 (18)	O6A—Cl1A—O5A	112.2 (15)
O2—Co2—N3	90.02 (18)	O3A—Cl1A—O5A	107.1 (11)
N3ⁱⁱ—Co2—N3	180	O4A—Cl1A—O5A	116.9 (18)

Symmetry codes: (i) −x+2, −y+2, −z; (ii) −x+1, −y+1, −z.

Format		BIBTeX
		EndNote
		RefMan
		Refer
		Medline
		CIF
		SGML
		Text
		Plain Text

Format		BIBTeX
		EndNote
		RefMan
		Refer
		Medline
		CIF
		SGML
		Text
		Plain Text

Search IUCr Journals		doi		Advanced search
Author		volume	page

trans-Bis{1-[3-(cyclo­hexyl­amino)­propyl­imino­methyl]-2-naphtholato-κ3O,N,N′}cobalt(III) perchlorate

Supporting information

Key indicators

checkCIF/PLATON results

trans-Bis{1-[3-(cyclohexylamino)propyliminomethyl]-2-naphtholato-κ³O,N,N′}cobalt(III) perchlorate