##############################################################################
###                                                                        ###
###        Electronic paper (Acta Crystallographica Section E)             ###
###                                                                        ###
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#                                                                            #
# This CIF contains the data in a paper accepted for publication in Acta     #
# Crystallographica Section E. It conforms to the requirements of Notes      #
# for Authors for Section E, and has been peer reviewed under the auspices   #
# of the IUCr Commission on Journals.                                        #
#                                                                            #
# Full details of the Crystallographic Information File format               #
# are given in the paper "The Crystallographic Information File (CIF):       #
# a New Standard Archive File for Crystallography" by S. R. Hall, F. H.      #
# Allen and I. D. Brown [Acta Cryst. (1991), A47, 655-685].                  #
#                                                                            #
# The current version of the core CIF dictionary is obtainable from          #
# ftp://ftp.iucr.org/pub/cif_core.dic. The current version number is 2.4.    #
#                                                                            #
# Software is freely available for graphical display of the structure(s) in  #
# this CIF.  For information consult the CIF home page http://www.iucr.org/  #
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data_I
_audit_creation_method     SHELXL-97
_chemical_name_systematic
;
rac-N,N'-Bis(1-ferrocenylethyl)pyridine-2,6-dicarboxamide
;
_chemical_name_common     Bis(ferrocenyl)benzylamide
_chemical_formula_moiety     'C31 H31 Fe2 N3 O2'
_chemical_formula_sum     'C31 H31 Fe2 N3 O2'
_chemical_formula_iupac     '[Fe (C5 H5)2 (C21 H21 N3 O2)]'
_chemical_formula_weight     589.29
_chemical_melting_point     ?
_symmetry_cell_setting     Monoclinic
_symmetry_space_group_name_H-M     'P 21/n'
_symmetry_space_group_name_Hall     '-P 2yn'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x+1/2, y+1/2, -z+1/2'
    '-x, -y, -z'
    'x-1/2, -y-1/2, z-1/2'
_cell_length_a     13.1787(8)
_cell_length_b     10.2961(6)
_cell_length_c     19.8474(12)
_cell_angle_alpha     90
_cell_angle_beta     103.6200(10)
_cell_angle_gamma     90
_cell_volume     2617.3(3)
_cell_formula_units_Z     4
_cell_measurement_reflns_used     4471
_cell_measurement_theta_min     2.2
_cell_measurement_theta_max     26.1
_cell_measurement_temperature     298(2)
_exptl_crystal_description     rectangular
_exptl_crystal_colour     yellow
_exptl_crystal_size_max     0.41
_exptl_crystal_size_mid     0.19
_exptl_crystal_size_min     0.15
_exptl_crystal_density_diffrn     1.495
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     1224
_exptl_absorpt_coefficient_mu     1.143
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details     '(SADABS; Blessing, 1995; Sheldrick, 2004)'
_exptl_absorpt_correction_T_min     0.734
_exptl_absorpt_correction_T_max     0.842
_exptl_special_details
;
Ratio of minimum to maximum apparent transmission: 0.734422
;
_diffrn_ambient_temperature     298(2)
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_source     'fine-focus sealed tube'
_diffrn_radiation_monochromator     graphite
_diffrn_measurement_device_type     'Bruker SMART CCD area-detector'
_diffrn_measurement_method     'φ and ω scans'
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     14428
_diffrn_reflns_av_R_equivalents     0.046
_diffrn_reflns_av_sigmaI/netI     0.060
_diffrn_reflns_theta_min     2.1
_diffrn_reflns_theta_max     26.0
_diffrn_reflns_theta_full     26.0
_diffrn_measured_fraction_theta_max     0.997
_diffrn_measured_fraction_theta_full     0.997
_diffrn_reflns_limit_h_min     -16
_diffrn_reflns_limit_h_max     16
_diffrn_reflns_limit_k_min     -12
_diffrn_reflns_limit_k_max     12
_diffrn_reflns_limit_l_min     -24
_diffrn_reflns_limit_l_max     17
_diffrn_standards_number     ?
_diffrn_standards_interval_count     ?
_diffrn_standards_interval_time     ?
_diffrn_standards_decay_%     <10%
_refine_special_details
;
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 >
2σ(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.
;
_reflns_number_total     5126
_reflns_number_gt     3874
_reflns_threshold_expression     'I>2σ(I)'
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.127
_refine_ls_R_factor_gt     0.098
_refine_ls_wR_factor_gt     0.187
_refine_ls_wR_factor_ref     0.199
_refine_ls_goodness_of_fit_ref     1.20
_refine_ls_restrained_S_all     1.20
_refine_ls_number_reflns     5126
_refine_ls_number_parameters     343
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
         'calc w=1/[σ²(Fo²)+(0.0634P)²+8.1673P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary     difmap
_refine_ls_shift/su_max     ?
_refine_ls_shift/su_max_lt     0.001
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     0.75
_refine_diff_density_min     -0.61
_refine_ls_extinction_method     none
_refine_ls_extinction_coef     ?
loop_
    _atom_type_symbol
    _atom_type_description
    _atom_type_scat_dispersion_real
    _atom_type_scat_dispersion_imag
    _atom_type_scat_source
    'C' 'C' 0.0033 0.0016
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'H' 'H' 0.0000 0.0000
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'N' 'N' 0.0061 0.0033
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'O' 'O' 0.0106 0.0060
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Fe' 'Fe' 0.3463 0.8444
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection     'SMART (Bruker, 2001)'
_computing_cell_refinement     'SAINT (Bruker, 2002)'
_computing_data_reduction     'SAINT (Bruker, 2002)'
_computing_structure_solution     'SHELXS97 (Sheldrick, 2008)'
_computing_structure_refinement     'SHELXL97 (Sheldrick, 2008)'
_computing_molecular_graphics     'ORTEPII (Johnson, 1976)'
_computing_publication_material
                                   'WinGX Publication routines (Farrugia, 1999)'
loop_
    _atom_site_type_symbol
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    _atom_site_adp_type
    _atom_site_calc_flag
    _atom_site_refinement_flags
    _atom_site_occupancy
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    Fe Fe1 0.17053(7) 0.10963(9) 0.11043(5) 0.0413(3) Uani d . 1 . .
    Fe Fe2 0.53645(7) -0.29594(9) 0.10434(5) 0.0417(3) Uani d . 1 . .
    O O1 0.4466(5) 0.1233(6) 0.3804(3) 0.0812(18) Uani d . 1 . .
    O O2 0.8132(4) -0.3087(6) 0.3000(3) 0.0715(16) Uani d . 1 . .
    N N1 0.4599(4) 0.0710(6) 0.2728(3) 0.0547(16) Uani d . 1 . .
    H H1A 0.4946 0.0250 0.2498 0.066 Uiso calc R 1 . .
    N N2 0.6319(4) -0.0688(5) 0.3218(3) 0.0387(12) Uani d . 1 . .
    N N3 0.7391(4) -0.1436(6) 0.2299(3) 0.0457(14) Uani d . 1 . .
    H H3A 0.7067 -0.0710 0.2290 0.055 Uiso calc R 1 . .
    C C1 0.0384(6) 0.1732(8) 0.1360(4) 0.056(2) Uani d . 1 . .
    H H1B 0.0060 0.1346 0.1709 0.068 Uiso calc R 1 . .
    C C2 0.1144(6) 0.2705(7) 0.1476(4) 0.059(2) Uani d . 1 . .
    H H2B 0.1444 0.3116 0.1924 0.071 Uiso calc R 1 . .
    C C3 0.1396(7) 0.3010(8) 0.0850(5) 0.071(2) Uani d . 1 . .
    H H3B 0.1898 0.3667 0.0777 0.085 Uiso calc R 1 . .
    C C4 0.0788(8) 0.2198(10) 0.0346(4) 0.079(3) Uani d . 1 . .
    H H4A 0.0799 0.2183 -0.0146 0.095 Uiso calc R 1 . .
    C C5 0.0169(6) 0.1404(9) 0.0659(4) 0.067(2) Uani d . 1 . .
    H H5A -0.0334 0.0752 0.0427 0.081 Uiso calc R 1 . .
    C C6 0.2467(6) -0.0314(8) 0.0700(5) 0.068(2) Uani d . 1 . .
    H H6A 0.2341 -0.0524 0.0205 0.081 Uiso calc R 1 . .
    C C7 0.1942(6) -0.0863(7) 0.1152(5) 0.071(3) Uani d . 1 . .
    H H7A 0.1404 -0.1539 0.1044 0.085 Uiso calc R 1 . .
    C C8 0.2348(5) -0.0303(6) 0.1797(4) 0.0555(19) Uani d . 1 . .
    H H8A 0.2120 -0.0508 0.2220 0.067 Uiso calc R 1 . .
    C C9 0.3101(5) 0.0660(6) 0.1748(3) 0.0392(15) Uani d . 1 . .
    C C10 0.3179(6) 0.0628(8) 0.1041(4) 0.060(2) Uani d . 1 . .
    H H10A 0.3644 0.1158 0.0835 0.072 Uiso calc R 1 . .
    C C11 0.3724(5) 0.1462(7) 0.2333(4) 0.0527(18) Uani d . 1 . .
    H H11A 0.3269 0.1681 0.2642 0.063 Uiso calc R 1 . .
    C C12 0.4101(7) 0.2730(8) 0.2075(5) 0.085(3) Uani d . 1 . .
    H H12A 0.4491 0.3218 0.2463 0.102 Uiso calc R 1 . .
    H H12B 0.3510 0.3230 0.1836 0.102 Uiso calc R 1 . .
    H H12C 0.4539 0.2540 0.1764 0.102 Uiso calc R 1 . .
    C C13 0.4903(6) 0.0677(7) 0.3409(4) 0.0503(17) Uani d . 1 . .
    C C14 0.5841(5) -0.0196(6) 0.3682(3) 0.0412(15) Uani d . 1 . .
    C C15 0.6128(6) -0.0516(7) 0.4376(3) 0.0530(19) Uani d . 1 . .
    H H15A 0.5787 -0.0141 0.4688 0.064 Uiso calc R 1 . .
    C C16 0.6914(6) -0.1384(8) 0.4601(4) 0.059(2) Uani d . 1 . .
    H H16A 0.7109 -0.1616 0.5067 0.071 Uiso calc R 1 . .
    C C17 0.7422(6) -0.1919(8) 0.4129(4) 0.058(2) Uani d . 1 . .
    H H17A 0.7959 -0.2519 0.4267 0.069 Uiso calc R 1 . .
    C C18 0.7098(5) -0.1523(7) 0.3437(3) 0.0436(16) Uani d . 1 . .
    C C19 0.7603(5) -0.2092(8) 0.2893(4) 0.0521(18) Uani d . 1 . .
    C C20 0.7665(5) -0.1850(7) 0.1659(4) 0.0509(18) Uani d . 1 . .
    H H20A 0.7984 -0.2714 0.1735 0.061 Uiso calc R 1 . .
    C C21 0.8435(6) -0.0937(9) 0.1456(5) 0.077(3) Uani d . 1 . .
    H H21A 0.9051 -0.0880 0.1826 0.092 Uiso calc R 1 . .
    H H21B 0.8126 -0.0092 0.1365 0.092 Uiso calc R 1 . .
    H H21C 0.8620 -0.1258 0.1046 0.092 Uiso calc R 1 . .
    C C22 0.6698(5) -0.1939(7) 0.1077(3) 0.0482(16) Uani d . 1 . .
    C C23 0.6523(6) -0.2865(8) 0.0528(4) 0.061(2) Uani d . 1 . .
    H H23A 0.6994 -0.3576 0.0476 0.074 Uiso calc R 1 . .
    C C24 0.5548(7) -0.2590(9) 0.0074(4) 0.070(2) Uani d . 1 . .
    H H24A 0.5226 -0.3076 -0.0347 0.083 Uiso calc R 1 . .
    C C25 0.5118(6) -0.1519(7) 0.0333(3) 0.058(2) Uani d . 1 . .
    H H25A 0.4443 -0.1118 0.0124 0.069 Uiso calc R 1 . .
    C C26 0.5825(6) -0.1105(6) 0.0944(3) 0.0482(17) Uani d . 1 . .
    H H26A 0.5719 -0.0371 0.1234 0.058 Uiso calc R 1 . .
    C C27 0.5281(6) -0.4809(7) 0.1373(4) 0.063(2) Uani d . 1 . .
    H H27A 0.5684 -0.5549 0.1266 0.076 Uiso calc R 1 . .
    C C28 0.5586(7) -0.3973(8) 0.1932(4) 0.071(2) Uani d . 1 . .
    H H28A 0.6241 -0.4025 0.2289 0.086 Uiso calc R 1 . .
    C C29 0.4804(7) -0.3058(8) 0.1908(4) 0.069(2) Uani d . 1 . .
    H H29A 0.4817 -0.2353 0.2242 0.082 Uiso calc R 1 . .
    C C30 0.3991(6) -0.3315(8) 0.1328(4) 0.063(2) Uani d . 1 . .
    H H30A 0.3341 -0.2820 0.1182 0.076 Uiso calc R 1 . .
    C C31 0.4292(6) -0.4399(7) 0.0982(4) 0.066(2) Uani d . 1 . .
    H H31A 0.3885 -0.4802 0.0556 0.079 Uiso calc R 1 . .
_geom_special_details
;
All s.u.'s (except the s.u. in the dihedral angle between two l.s. planes) are
estimated using the full covariance matrix. The cell s.u.'s are taken into
account individually in the estimation of s.u.'s in distances, angles and
torsion angles; correlations between s.u.'s in cell parameters are only used
when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell s.u.'s is used for estimating s.u.'s involving l.s. planes.
;
loop_
    _geom_bond_atom_site_label_1
    _geom_bond_atom_site_label_2
    _geom_bond_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    Fe1 C1 . 2.033(7) ?
    Fe1 C2 . 2.023(7) ?
    Fe1 C3 . 2.051(7) ?
    Fe1 C4 . 2.040(7) ?
    Fe1 C5 . 2.034(7) ?
    Fe1 C6 . 2.035(7) ?
    Fe1 C7 . 2.040(7) ?
    Fe1 C8 . 2.033(6) ?
    Fe1 C9 . 2.027(6) ?
    Fe1 C10 . 2.033(7) ?
    Fe2 C28 . 2.011(7) ?
    Fe2 C25 . 2.019(6) ?
    Fe2 C29 . 2.024(7) ?
    Fe2 C27 . 2.025(7) ?
    Fe2 C26 . 2.027(7) ?
    Fe2 C23 . 2.031(8) ?
    Fe2 C24 . 2.031(7) ?
    Fe2 C31 . 2.031(8) ?
    Fe2 C22 . 2.035(7) ?
    Fe2 C30 . 2.052(8) ?
    O1 C13 . 1.220(8) ?
    O2 C19 . 1.230(8) ?
    N1 C13 . 1.317(8) ?
    N1 C11 . 1.456(9) ?
    N1 H1A . 0.8600 ?
    N2 C18 . 1.332(8) ?
    N2 C14 . 1.332(8) ?
    N3 C19 . 1.329(8) ?
    N3 C20 . 1.463(8) ?
    N3 H3A . 0.8600 ?
    C1 C5 . 1.393(10) ?
    C1 C2 . 1.397(11) ?
    C1 H1B . 0.9800 ?
    C2 C3 . 1.397(11) ?
    C2 H2B . 0.9800 ?
    C3 C4 . 1.402(13) ?
    C3 H3B . 0.9800 ?
    C4 C5 . 1.400(12) ?
    C4 H4A . 0.9800 ?
    C5 H5A . 0.9800 ?
    C6 C7 . 1.377(12) ?
    C6 C10 . 1.408(11) ?
    C6 H6A . 0.9800 ?
    C7 C8 . 1.391(11) ?
    C7 H7A . 0.9800 ?
    C8 C9 . 1.422(9) ?
    C8 H8A . 0.9800 ?
    C9 C10 . 1.430(10) ?
    C9 C11 . 1.501(9) ?
    C10 H10A . 0.9800 ?
    C11 C12 . 1.528(11) ?
    C11 H11A . 0.9800 ?
    C12 H12A . 0.9600 ?
    C12 H12B . 0.9600 ?
    C12 H12C . 0.9600 ?
    C13 C14 . 1.521(10) ?
    C14 C15 . 1.378(9) ?
    C15 C16 . 1.362(11) ?
    C15 H15A . 0.9300 ?
    C16 C17 . 1.388(11) ?
    C16 H16A . 0.9300 ?
    C17 C18 . 1.399(9) ?
    C17 H17A . 0.9300 ?
    C18 C19 . 1.513(10) ?
    C20 C21 . 1.507(10) ?
    C20 C22 . 1.508(10) ?
    C20 H20A . 0.9800 ?
    C21 H21A . 0.9600 ?
    C21 H21B . 0.9600 ?
    C21 H21C . 0.9600 ?
    C22 C26 . 1.410(9) ?
    C22 C23 . 1.425(9) ?
    C23 C24 . 1.413(11) ?
    C23 H23A . 0.9800 ?
    C24 C25 . 1.392(11) ?
    C24 H24A . 0.9800 ?
    C25 C26 . 1.410(9) ?
    C25 H25A . 0.9800 ?
    C26 H26A . 0.9800 ?
    C27 C28 . 1.387(11) ?
    C27 C31 . 1.416(10) ?
    C27 H27A . 0.9800 ?
    C28 C29 . 1.389(12) ?
    C28 H28A . 0.9800 ?
    C29 C30 . 1.400(11) ?
    C29 H29A . 0.9800 ?
    C30 C31 . 1.416(11) ?
    C30 H30A . 0.9800 ?
    C31 H31A . 0.9800 ?
loop_
    _geom_angle_atom_site_label_1
    _geom_angle_atom_site_label_2
    _geom_angle_atom_site_label_3
    _geom_angle_site_symmetry_1
    _geom_angle_site_symmetry_3
    _geom_angle
    _geom_angle_publ_flag
    C2 Fe1 C9 . . 107.9(3) ?
    C2 Fe1 C1 . . 40.3(3) ?
    C9 Fe1 C1 . . 128.2(3) ?
    C2 Fe1 C8 . . 117.6(3) ?
    C9 Fe1 C8 . . 41.0(3) ?
    C1 Fe1 C8 . . 107.7(3) ?
    C2 Fe1 C10 . . 130.8(3) ?
    C9 Fe1 C10 . . 41.2(3) ?
    C1 Fe1 C10 . . 168.0(3) ?
    C8 Fe1 C10 . . 67.8(3) ?
    C2 Fe1 C5 . . 67.6(3) ?
    C9 Fe1 C5 . . 166.1(3) ?
    C1 Fe1 C5 . . 40.1(3) ?
    C8 Fe1 C5 . . 128.2(4) ?
    C10 Fe1 C5 . . 151.4(3) ?
    C2 Fe1 C6 . . 170.1(4) ?
    C9 Fe1 C6 . . 68.4(3) ?
    C1 Fe1 C6 . . 149.2(4) ?
    C8 Fe1 C6 . . 66.1(4) ?
    C10 Fe1 C6 . . 40.5(3) ?
    C5 Fe1 C6 . . 118.2(3) ?
    C2 Fe1 C4 . . 67.0(3) ?
    C9 Fe1 C4 . . 151.7(4) ?
    C1 Fe1 C4 . . 67.1(3) ?
    C8 Fe1 C4 . . 166.8(4) ?
    C10 Fe1 C4 . . 119.7(4) ?
    C5 Fe1 C4 . . 40.2(4) ?
    C6 Fe1 C4 . . 111.6(4) ?
    C2 Fe1 C7 . . 149.0(4) ?
    C9 Fe1 C7 . . 69.2(3) ?
    C1 Fe1 C7 . . 115.9(4) ?
    C8 Fe1 C7 . . 39.9(3) ?
    C10 Fe1 C7 . . 68.3(3) ?
    C5 Fe1 C7 . . 107.5(3) ?
    C6 Fe1 C7 . . 39.5(3) ?
    C4 Fe1 C7 . . 129.9(4) ?
    C2 Fe1 C3 . . 40.1(3) ?
    C9 Fe1 C3 . . 117.8(3) ?
    C1 Fe1 C3 . . 67.7(3) ?
    C8 Fe1 C3 . . 150.9(4) ?
    C10 Fe1 C3 . . 110.5(4) ?
    C5 Fe1 C3 . . 67.9(4) ?
    C6 Fe1 C3 . . 132.6(4) ?
    C4 Fe1 C3 . . 40.1(4) ?
    C7 Fe1 C3 . . 168.8(4) ?
    C28 Fe2 C25 . . 163.7(4) ?
    C28 Fe2 C29 . . 40.3(3) ?
    C25 Fe2 C29 . . 126.7(4) ?
    C28 Fe2 C27 . . 40.2(3) ?
    C25 Fe2 C27 . . 154.7(3) ?
    C29 Fe2 C27 . . 67.7(4) ?
    C28 Fe2 C26 . . 126.1(3) ?
    C25 Fe2 C26 . . 40.8(3) ?
    C29 Fe2 C26 . . 107.9(3) ?
    C27 Fe2 C26 . . 163.2(3) ?
    C28 Fe2 C23 . . 119.7(4) ?
    C25 Fe2 C23 . . 68.2(3) ?
    C29 Fe2 C23 . . 153.8(3) ?
    C27 Fe2 C23 . . 108.2(3) ?
    C26 Fe2 C23 . . 68.2(3) ?
    C28 Fe2 C24 . . 154.6(4) ?
    C25 Fe2 C24 . . 40.2(3) ?
    C29 Fe2 C24 . . 164.0(4) ?
    C27 Fe2 C24 . . 120.7(4) ?
    C26 Fe2 C24 . . 68.1(3) ?
    C23 Fe2 C24 . . 40.7(3) ?
    C28 Fe2 C31 . . 68.3(3) ?
    C25 Fe2 C31 . . 119.9(3) ?
    C29 Fe2 C31 . . 68.1(4) ?
    C27 Fe2 C31 . . 40.9(3) ?
    C26 Fe2 C31 . . 154.3(3) ?
    C23 Fe2 C31 . . 126.8(3) ?
    C24 Fe2 C31 . . 108.4(4) ?
    C28 Fe2 C22 . . 107.1(3) ?
    C25 Fe2 C22 . . 68.8(3) ?
    C29 Fe2 C22 . . 118.9(3) ?
    C27 Fe2 C22 . . 125.9(3) ?
    C26 Fe2 C22 . . 40.6(3) ?
    C23 Fe2 C22 . . 41.0(3) ?
    C24 Fe2 C22 . . 68.9(3) ?
    C31 Fe2 C22 . . 164.1(3) ?
    C28 Fe2 C30 . . 67.7(3) ?
    C25 Fe2 C30 . . 108.4(3) ?
    C29 Fe2 C30 . . 40.2(3) ?
    C27 Fe2 C30 . . 68.0(3) ?
    C26 Fe2 C30 . . 119.9(3) ?
    C23 Fe2 C30 . . 164.6(3) ?
    C24 Fe2 C30 . . 127.2(4) ?
    C31 Fe2 C30 . . 40.6(3) ?
    C22 Fe2 C30 . . 153.4(3) ?
    C13 N1 C11 . . 125.3(6) ?
    C13 N1 H1A . . 117.3 ?
    C11 N1 H1A . . 117.3 ?
    C18 N2 C14 . . 118.3(6) ?
    C19 N3 C20 . . 125.4(6) ?
    C19 N3 H3A . . 117.3 ?
    C20 N3 H3A . . 117.3 ?
    C5 C1 C2 . . 108.0(8) ?
    C5 C1 Fe1 . . 70.0(4) ?
    C2 C1 Fe1 . . 69.5(4) ?
    C5 C1 H1B . . 126.0 ?
    C2 C1 H1B . . 126.0 ?
    Fe1 C1 H1B . . 126.0 ?
    C1 C2 C3 . . 109.0(8) ?
    C1 C2 Fe1 . . 70.2(4) ?
    C3 C2 Fe1 . . 71.0(4) ?
    C1 C2 H2B . . 125.5 ?
    C3 C2 H2B . . 125.5 ?
    Fe1 C2 H2B . . 125.5 ?
    C2 C3 C4 . . 106.6(8) ?
    C2 C3 Fe1 . . 68.9(4) ?
    C4 C3 Fe1 . . 69.5(5) ?
    C2 C3 H3B . . 126.7 ?
    C4 C3 H3B . . 126.7 ?
    Fe1 C3 H3B . . 126.7 ?
    C5 C4 C3 . . 109.0(8) ?
    C5 C4 Fe1 . . 69.7(4) ?
    C3 C4 Fe1 . . 70.4(4) ?
    C5 C4 H4A . . 125.5 ?
    C3 C4 H4A . . 125.5 ?
    Fe1 C4 H4A . . 125.5 ?
    C1 C5 C4 . . 107.4(8) ?
    C1 C5 Fe1 . . 69.9(4) ?
    C4 C5 Fe1 . . 70.1(5) ?
    C1 C5 H5A . . 126.3 ?
    C4 C5 H5A . . 126.3 ?
    Fe1 C5 H5A . . 126.3 ?
    C7 C6 C10 . . 110.4(8) ?
    C7 C6 Fe1 . . 70.5(5) ?
    C10 C6 Fe1 . . 69.7(4) ?
    C7 C6 H6A . . 124.8 ?
    C10 C6 H6A . . 124.8 ?
    Fe1 C6 H6A . . 124.8 ?
    C6 C7 C8 . . 106.6(7) ?
    C6 C7 Fe1 . . 70.0(4) ?
    C8 C7 Fe1 . . 69.8(4) ?
    C6 C7 H7A . . 126.7 ?
    C8 C7 H7A . . 126.7 ?
    Fe1 C7 H7A . . 126.7 ?
    C7 C8 C9 . . 110.5(7) ?
    C7 C8 Fe1 . . 70.3(4) ?
    C9 C8 Fe1 . . 69.3(4) ?
    C7 C8 H8A . . 124.7 ?
    C9 C8 H8A . . 124.7 ?
    Fe1 C8 H8A . . 124.7 ?
    C8 C9 C10 . . 105.3(6) ?
    C8 C9 C11 . . 126.4(6) ?
    C10 C9 C11 . . 128.2(6) ?
    C8 C9 Fe1 . . 69.7(4) ?
    C10 C9 Fe1 . . 69.6(4) ?
    C11 C9 Fe1 . . 128.0(4) ?
    C6 C10 C9 . . 107.1(7) ?
    C6 C10 Fe1 . . 69.8(4) ?
    C9 C10 Fe1 . . 69.2(4) ?
    C6 C10 H10A . . 126.4 ?
    C9 C10 H10A . . 126.4 ?
    Fe1 C10 H10A . . 126.4 ?
    N1 C11 C9 . . 110.1(6) ?
    N1 C11 C12 . . 110.9(6) ?
    C9 C11 C12 . . 111.9(6) ?
    N1 C11 H11A . . 107.9 ?
    C9 C11 H11A . . 107.9 ?
    C12 C11 H11A . . 107.9 ?
    C11 C12 H12A . . 109.5 ?
    C11 C12 H12B . . 109.5 ?
    H12A C12 H12B . . 109.5 ?
    C11 C12 H12C . . 109.5 ?
    H12A C12 H12C . . 109.5 ?
    H12B C12 H12C . . 109.5 ?
    O1 C13 N1 . . 124.9(7) ?
    O1 C13 C14 . . 121.1(7) ?
    N1 C13 C14 . . 114.0(6) ?
    N2 C14 C15 . . 122.4(7) ?
    N2 C14 C13 . . 117.1(6) ?
    C15 C14 C13 . . 120.4(7) ?
    C16 C15 C14 . . 119.5(7) ?
    C16 C15 H15A . . 120.2 ?
    C14 C15 H15A . . 120.2 ?
    C15 C16 C17 . . 119.3(7) ?
    C15 C16 H16A . . 120.3 ?
    C17 C16 H16A . . 120.3 ?
    C16 C17 C18 . . 117.6(7) ?
    C16 C17 H17A . . 121.2 ?
    C18 C17 H17A . . 121.2 ?
    N2 C18 C17 . . 122.8(7) ?
    N2 C18 C19 . . 116.9(5) ?
    C17 C18 C19 . . 120.3(7) ?
    O2 C19 N3 . . 124.7(7) ?
    O2 C19 C18 . . 121.6(7) ?
    N3 C19 C18 . . 113.7(6) ?
    N3 C20 C21 . . 111.7(6) ?
    N3 C20 C22 . . 110.3(5) ?
    C21 C20 C22 . . 109.5(6) ?
    N3 C20 H20A . . 108.4 ?
    C21 C20 H20A . . 108.4 ?
    C22 C20 H20A . . 108.4 ?
    C20 C21 H21A . . 109.5 ?
    C20 C21 H21B . . 109.5 ?
    H21A C21 H21B . . 109.5 ?
    C20 C21 H21C . . 109.5 ?
    H21A C21 H21C . . 109.5 ?
    H21B C21 H21C . . 109.5 ?
    C26 C22 C23 . . 106.7(6) ?
    C26 C22 C20 . . 127.7(6) ?
    C23 C22 C20 . . 125.6(6) ?
    C26 C22 Fe2 . . 69.4(4) ?
    C23 C22 Fe2 . . 69.3(4) ?
    C20 C22 Fe2 . . 128.6(5) ?
    C24 C23 C22 . . 108.2(7) ?
    C24 C23 Fe2 . . 69.7(4) ?
    C22 C23 Fe2 . . 69.7(4) ?
    C24 C23 H23A . . 125.9 ?
    C22 C23 H23A . . 125.9 ?
    Fe2 C23 H23A . . 125.9 ?
    C25 C24 C23 . . 108.2(7) ?
    C25 C24 Fe2 . . 69.4(4) ?
    C23 C24 Fe2 . . 69.6(4) ?
    C25 C24 H24A . . 125.9 ?
    C23 C24 H24A . . 125.9 ?
    Fe2 C24 H24A . . 125.9 ?
    C24 C25 C26 . . 108.3(7) ?
    C24 C25 Fe2 . . 70.4(4) ?
    C26 C25 Fe2 . . 69.9(4) ?
    C24 C25 H25A . . 125.9 ?
    C26 C25 H25A . . 125.9 ?
    Fe2 C25 H25A . . 125.9 ?
    C25 C26 C22 . . 108.7(6) ?
    C25 C26 Fe2 . . 69.3(4) ?
    C22 C26 Fe2 . . 70.0(4) ?
    C25 C26 H26A . . 125.6 ?
    C22 C26 H26A . . 125.6 ?
    Fe2 C26 H26A . . 125.6 ?
    C28 C27 C31 . . 108.0(7) ?
    C28 C27 Fe2 . . 69.3(4) ?
    C31 C27 Fe2 . . 69.8(4) ?
    C28 C27 H27A . . 126.0 ?
    C31 C27 H27A . . 126.0 ?
    Fe2 C27 H27A . . 126.0 ?
    C27 C28 C29 . . 108.7(7) ?
    C27 C28 Fe2 . . 70.5(4) ?
    C29 C28 Fe2 . . 70.4(4) ?
    C27 C28 H28A . . 125.7 ?
    C29 C28 H28A . . 125.7 ?
    Fe2 C28 H28A . . 125.7 ?
    C28 C29 C30 . . 108.6(8) ?
    C28 C29 Fe2 . . 69.3(5) ?
    C30 C29 Fe2 . . 71.0(5) ?
    C28 C29 H29A . . 125.7 ?
    C30 C29 H29A . . 125.7 ?
    Fe2 C29 H29A . . 125.7 ?
    C29 C30 C31 . . 107.5(7) ?
    C29 C30 Fe2 . . 68.8(5) ?
    C31 C30 Fe2 . . 68.9(5) ?
    C29 C30 H30A . . 126.2 ?
    C31 C30 H30A . . 126.2 ?
    Fe2 C30 H30A . . 126.2 ?
    C30 C31 C27 . . 107.2(7) ?
    C30 C31 Fe2 . . 70.5(4) ?
    C27 C31 Fe2 . . 69.3(4) ?
    C30 C31 H31A . . 126.4 ?
    C27 C31 H31A . . 126.4 ?
    Fe2 C31 H31A . . 126.4 ?
data_global
_journal_date_recd_electronic     2009-01-23
_journal_date_accepted     2009-02-05
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2009
_journal_volume     65
_journal_issue      3
_journal_page_first     m264
_journal_page_last     m264
_journal_paper_category     QM
_journal_coeditor_code     TK2359
_publ_contact_author_name     'Prof. Kim, Tae-Jeong'
_publ_contact_author_address
;
Department of Applied Chemistry
  College of Engineering
  Kyungpook National University
  Daegu 702-701
  South Korea
;
_publ_contact_author_email     tjkim@knu.ac.kr
_publ_contact_author_fax     '-82-53-950 6594'
_publ_contact_author_phone     '-82-53-950-5587'
_publ_section_title
;
rac-N,N'-Bis(1-ferrocenylethyl)pyridine-2,6-dicarboxamide
;
loop_
    _publ_author_name
    _publ_author_footnote
    _publ_author_address
    'Reddy, Pattubala A. N.' .
; Department of Applied Chemistry
  College of Engineering
  Kyungpook National University
  Daegu 702-701
  Republic of Korea
;
    'Nasiruzzaman, Sk. Md' .
; Department of Applied Chemistry
  College of Engineering
  Kyungpook National University
  Daegu 702-701
  Republic of Korea
;
    'Lee, Ji Eun' .
; Central Instrument Facility
  Gyeongsang National University
  Jinju
  Republic of Korea
;
    'Kim, Tae-Jeong' .
; Department of Applied Chemistry
  College of Engineering
  Kyungpook National University
  Daegu 702-701
  Republic of Korea
;
