#------------------------------------------------------------------------------
#$Date: 2022-02-22 04:59:25 +0200 (Tue, 22 Feb 2022) $
#$Revision: 273082 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/02/25/2022576.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2022576
loop_
_publ_author_name
'Kunchur, Harish S.'
'Mondal, Dipanjan'
'Rao, Sowmya'
'Mague, Joel T.'
'Balakrishna, Maravanji S.'
_publ_section_title
;
 Synthesis, structural, characterization and Hirshfeld analysis of a
 bisselenide and a zinc complex of a new hemilabile
 ferrocenylbisphosphane,
 [Fe{C₅H₄P(C₆H₄CH₂NMe₂-o)₂}₂]
;
_journal_coeditor_code           ZO3012
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              725
_journal_page_last               733
_journal_paper_doi               10.1107/S205322962101072X
_journal_volume                  77
_journal_year                    2021
_chemical_formula_iupac          '[Fe Zn2 Cl4 (C23 H28 N2 P1)2], C H2 Cl2'
_chemical_formula_moiety         'C46 H56 Cl4 Fe N4 P2 Zn2, C H2 Cl2'
_chemical_formula_sum            'C47 H58 Cl6 Fe N4 P2 Zn2'
_chemical_formula_weight         1140.20
_chemical_name_systematic
;[μ-1,1'-Bis(bis{2-[(dimethylamino)methyl]phenyl}phosphanyl)ferrocene-κ²N,P:κ²N',P']bis[dichloridozinc(II)]
dichloromethane monosolvate
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                96.791(2)
_cell_angle_beta                 91.486(2)
_cell_angle_gamma                116.491(2)
_cell_formula_units_Z            2
_cell_length_a                   10.1150(13)
_cell_length_b                   10.7515(14)
_cell_length_c                   26.637(3)
_cell_measurement_reflns_used    9979
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.7324
_cell_measurement_theta_min      2.3191
_cell_volume                     2564.4(6)
_computing_cell_refinement
;
SAINT (Bruker, 2016)
;
_computing_data_collection
;
APEX3 (Bruker, 2016)
;
_computing_data_reduction
;
SAINT (Bruker, 2016)
;
_computing_molecular_graphics
;
DIAMOND (Brandenburg & Putz, 2012)
;
_computing_publication_material
;
SHELXTL (Bruker, 2016)
;
_computing_structure_refinement
;
SHELXL2014 (Sheldrick, 2015b)
;
_computing_structure_solution
;
SHELXT (Sheldrick, 2015a)
;
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 8.3660
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_device_type  'Bruker SMART APEX CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0611
_diffrn_reflns_av_unetI/netI     0.0927
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_number            48081
_diffrn_reflns_theta_full        28.000
_diffrn_reflns_theta_max         28.738
_diffrn_reflns_theta_min         2.139
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    1.619
_exptl_absorpt_correction_T_max  0.96
_exptl_absorpt_correction_T_min  0.76
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(TWINABS; Sheldrick, 2009)
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.477
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1172
_exptl_crystal_size_max          0.180
_exptl_crystal_size_mid          0.140
_exptl_crystal_size_min          0.025
_refine_diff_density_max         1.039
_refine_diff_density_min         -0.633
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     571
_refine_ls_number_reflns         48081
_refine_ls_number_restraints     294
_refine_ls_restrained_S_all      1.048
_refine_ls_R_factor_all          0.0671
_refine_ls_R_factor_gt           0.0548
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0197P)²+4.4933P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1203
_refine_ls_wR_factor_ref         0.1277
_reflns_number_gt                41125
_reflns_number_total             48081
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            zo3012sup1.cif
_cod_data_source_block           Compound_3
_cod_database_code               2022576
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.759
_shelx_estimated_absorpt_t_max   0.961
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
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_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Zn Zn1 0.89247(7) 0.52716(6) 0.33790(2) 0.01183(13) Uani d 1 . .
Fe Fe1 1.0000 0.5000 0.5000 0.0289(3) Uani d 1 . .
Cl Cl1 0.89074(17) 0.32452(14) 0.30938(5) 0.0232(3) Uani d 1 . .
Cl Cl2 0.67841(14) 0.51622(15) 0.36164(6) 0.0222(3) Uani d 1 . .
P P1 1.06349(15) 0.69801(13) 0.40472(5) 0.0105(3) Uani d 1 . .
N N1 0.9693(5) 0.6567(4) 0.28065(16) 0.0137(9) Uani d 1 . .
N N2 1.4674(6) 1.1336(5) 0.4311(2) 0.0374(15) Uani d 1 . .
C C1 1.0345(6) 0.6777(5) 0.4698(2) 0.0160(12) Uani d 1 . .
C C2 1.1441(8) 0.7096(6) 0.5111(2) 0.0325(16) Uani d 1 . .
H H2 1.2538 0.7515 0.5090 0.039 Uiso calc 1 . .
C C3 1.0707(10) 0.6729(7) 0.5550(3) 0.0441(19) Uani d 1 . .
H H3 1.1191 0.6831 0.5894 0.053 Uiso calc 1 . .
C C4 0.9192(10) 0.6185(7) 0.5424(3) 0.0450(19) Uani d 1 . .
H H4 0.8408 0.5829 0.5665 0.054 Uiso calc 1 . .
C C5 0.8928(7) 0.6178(6) 0.4892(2) 0.0266(14) Uani d 1 . .
H H5 0.7944 0.5851 0.4698 0.032 Uiso calc 1 . .
C C6 1.0211(5) 0.8407(5) 0.39269(19) 0.0102(10) Uani d 1 . .
C C7 0.9723(6) 0.9077(5) 0.4299(2) 0.0139(11) Uani d 1 . .
H H7 0.9680 0.8842 0.4633 0.017 Uiso calc 1 . .
C C8 0.9298(6) 1.0083(5) 0.4193(2) 0.0149(11) Uani d 1 . .
H H8 0.8978 1.0544 0.4452 0.018 Uiso calc 1 . .
C C9 0.9343(6) 1.0412(5) 0.3705(2) 0.0174(12) Uani d 1 . .
H H9 0.9064 1.1109 0.3630 0.021 Uiso calc 1 . .
C C10 0.9791(5) 0.9732(5) 0.3326(2) 0.0152(11) Uani d 1 . .
H H10 0.9791 0.9948 0.2991 0.018 Uiso calc 1 . .
C C11 1.0247(5) 0.8723(5) 0.34307(19) 0.0116(10) Uani d 1 . .
C C12 1.0772(5) 0.8049(5) 0.30110(19) 0.0128(11) Uani d 1 . .
H H12A 1.1709 0.8065 0.3137 0.015 Uiso calc 1 . .
H H12B 1.0992 0.8618 0.2730 0.015 Uiso calc 1 . .
C C13 1.0451(6) 0.6017(6) 0.2442(2) 0.0238(13) Uani d 1 . .
H H13A 0.9752 0.5071 0.2280 0.036 Uiso calc 1 . .
H H13B 1.1288 0.5980 0.2622 0.036 Uiso calc 1 . .
H H13C 1.0817 0.6636 0.2182 0.036 Uiso calc 1 . .
C C14 0.8396(6) 0.6552(6) 0.2529(2) 0.0223(13) Uani d 1 . .
H H14A 0.8727 0.7103 0.2249 0.034 Uiso calc 1 . .
H H14B 0.7912 0.6961 0.2761 0.034 Uiso calc 1 . .
H H14C 0.7693 0.5581 0.2394 0.034 Uiso calc 1 . .
C C15 1.2584(6) 0.7470(5) 0.3987(2) 0.0139(11) Uani d 1 . .
C C16 1.2831(6) 0.6377(6) 0.3736(2) 0.0167(12) Uani d 1 . .
H H16 1.2005 0.5504 0.3610 0.020 Uiso calc 1 . .
C C17 1.4233(6) 0.6540(6) 0.3667(2) 0.0241(13) Uani d 1 . .
H H17 1.4373 0.5781 0.3501 0.029 Uiso calc 1 . .
C C18 1.5440(7) 0.7809(6) 0.3839(3) 0.0299(15) Uani d 1 . .
H H18 1.6415 0.7925 0.3795 0.036 Uiso calc 1 . .
C C19 1.5224(7) 0.8925(7) 0.4079(3) 0.0319(15) Uani d 1 . .
H H19 1.6058 0.9808 0.4186 0.038 Uiso calc 1 . .
C C20 1.3799(6) 0.8766(6) 0.4165(2) 0.0220(13) Uani d 1 . .
C C21 1.3671(6) 0.9990(6) 0.4464(3) 0.0272(15) Uani d 1 . .
H H21A 1.2638 0.9849 0.4414 0.033 Uiso calc 1 . .
H H21B 1.3899 1.0015 0.4830 0.033 Uiso calc 1 . .
C C22 1.4622(8) 1.2479(7) 0.4654(3) 0.048(2) Uani d 1 . .
H H22A 1.5392 1.3382 0.4583 0.072 Uiso calc 1 . .
H H22B 1.4794 1.2369 0.5006 0.072 Uiso calc 1 . .
H H22C 1.3647 1.2453 0.4603 0.072 Uiso calc 1 . .
C C23 1.4264(9) 1.1407(8) 0.3790(3) 0.060(2) Uani d 1 . .
H H23A 1.4154 1.0564 0.3569 0.089 Uiso calc 1 . .
H H23B 1.5040 1.2242 0.3677 0.089 Uiso calc 1 . .
H H23C 1.3323 1.1462 0.3774 0.089 Uiso calc 1 . .
Zn Zn2 0.22774(7) 0.14799(6) 0.15950(2) 0.01370(14) Uani d 1 . .
Fe Fe2 0.0000 0.0000 0.0000 0.0259(3) Uani d 1 . .
Cl Cl3 0.42342(15) 0.12336(15) 0.13325(6) 0.0275(3) Uani d 1 . .
Cl Cl4 0.04783(15) -0.03463(14) 0.18613(5) 0.0232(3) Uani d 1 . .
P P2 0.18477(14) 0.26880(14) 0.09560(5) 0.0119(3) Uani d 1 . .
N N3 0.3048(5) 0.3205(5) 0.21884(17) 0.0177(10) Uani d 1 . .
N N4 0.1988(5) 0.6836(5) 0.0650(2) 0.0267(12) Uani d 1 . .
C C24 0.1611(6) 0.1958(5) 0.0298(2) 0.0178(12) Uani d 1 . .
C C25 0.2274(6) 0.1119(6) 0.0088(2) 0.0271(15) Uani d 1 . .
H H25 0.2974 0.0869 0.0273 0.032 Uiso calc 1 . .
C C26 0.1774(8) 0.0717(7) -0.0438(3) 0.0440(19) Uani d 1 . .
H H26 0.2050 0.0115 -0.0685 0.053 Uiso calc 1 . .
C C27 0.0806(8) 0.1272(7) -0.0549(2) 0.0427(19) Uani d 1 . .
H H27 0.0282 0.1140 -0.0889 0.051 Uiso calc 1 . .
C C28 0.0685(6) 0.2047(6) -0.0102(2) 0.0281(15) Uani d 1 . .
H H28 0.0081 0.2573 -0.0070 0.034 Uiso calc 1 . .
C C29 0.3671(5) 0.4205(5) 0.1068(2) 0.0117(11) Uani d 1 . .
C C30 0.4642(6) 0.4584(5) 0.0689(2) 0.0157(11) Uani d 1 . .
H H30 0.4343 0.4057 0.0359 0.019 Uiso calc 1 . .
C C31 0.6045(6) 0.5728(5) 0.0788(2) 0.0166(12) Uani d 1 . .
H H31 0.6697 0.5985 0.0527 0.020 Uiso calc 1 . .
C C32 0.6478(6) 0.6486(5) 0.1273(2) 0.0172(12) Uani d 1 . .
H H32 0.7417 0.7290 0.1341 0.021 Uiso calc 1 . .
C C33 0.5554(6) 0.6080(5) 0.1657(2) 0.0167(12) Uani d 1 . .
H H33 0.5875 0.6593 0.1989 0.020 Uiso calc 1 . .
C C34 0.4156(6) 0.4927(5) 0.1566(2) 0.0134(11) Uani d 1 . .
C C35 0.3193(6) 0.4513(5) 0.2002(2) 0.0176(12) Uani d 1 . .
H H35A 0.3610 0.5295 0.2287 0.021 Uiso calc 1 . .
H H35B 0.2190 0.4382 0.1892 0.021 Uiso calc 1 . .
C C36 0.4495(6) 0.3435(6) 0.2416(2) 0.0262(14) Uani d 1 . .
H H36A 0.5207 0.3654 0.2158 0.039 Uiso calc 1 . .
H H36B 0.4388 0.2584 0.2547 0.039 Uiso calc 1 . .
H H36C 0.4851 0.4220 0.2695 0.039 Uiso calc 1 . .
C C37 0.1993(7) 0.2899(6) 0.2581(2) 0.0295(15) Uani d 1 . .
H H37A 0.1021 0.2725 0.2431 0.044 Uiso calc 1 . .
H H37B 0.2352 0.3702 0.2853 0.044 Uiso calc 1 . .
H H37C 0.1904 0.2065 0.2722 0.044 Uiso calc 1 . .
C C38 0.0444(5) 0.3304(5) 0.1042(2) 0.0143(11) Uani d 1 . .
C C39 0.0405(6) 0.4452(6) 0.0849(2) 0.0181(12) Uani d 1 . .
C C40 -0.0773(6) 0.4753(6) 0.0956(2) 0.0237(13) Uani d 1 . .
H H40 -0.0801 0.5539 0.0836 0.028 Uiso calc 1 . .
C C41 -0.1899(6) 0.3939(6) 0.1231(2) 0.0246(14) Uani d 1 . .
H H41 -0.2701 0.4155 0.1290 0.030 Uiso calc 1 . .
C C42 -0.1863(6) 0.2805(6) 0.1421(2) 0.0218(13) Uani d 1 . .
H H42 -0.2635 0.2243 0.1610 0.026 Uiso calc 1 . .
C C43 -0.0685(6) 0.2506(6) 0.1330(2) 0.0175(12) Uani d 1 . .
H H43 -0.0644 0.1745 0.1467 0.021 Uiso calc 1 . .
C C44 0.1542(6) 0.5341(6) 0.0512(2) 0.0210(13) Uani d 1 . .
H H44A 0.2428 0.5177 0.0541 0.025 Uiso calc 1 . .
H H44B 0.1117 0.5044 0.0154 0.025 Uiso calc 1 . .
C C45 0.2798(7) 0.7350(6) 0.1152(3) 0.0389(17) Uani d 1 . .
H H45A 0.3749 0.7316 0.1140 0.058 Uiso calc 1 . .
H H45B 0.2213 0.6758 0.1396 0.058 Uiso calc 1 . .
H H45C 0.2976 0.8321 0.1257 0.058 Uiso calc 1 . .
C C46 0.2947(7) 0.7627(7) 0.0278(3) 0.0383(18) Uani d 1 . .
H H46A 0.2391 0.7335 -0.0057 0.057 Uiso calc 1 . .
H H46B 0.3810 0.7439 0.0261 0.057 Uiso calc 1 . .
H H46C 0.3281 0.8634 0.0381 0.057 Uiso calc 1 . .
Cl Cl5 -0.26632(17) -0.01531(16) 0.21729(7) 0.0332(4) Uani d 1 . .
Cl Cl6 -0.5516(2) -0.1373(2) 0.25951(9) 0.0626(6) Uani d 1 . .
C C47 -0.4170(7) 0.0106(7) 0.2389(3) 0.0373(17) Uani d 1 . .
H H47A -0.3800 0.0899 0.2671 0.045 Uiso calc 1 . .
H H47B -0.4621 0.0364 0.2110 0.045 Uiso calc 1 . .
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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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'
Zn Zn 0.2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
N1 Zn1 Cl1 . . 107.09(12) ?
N1 Zn1 Cl2 . . 110.51(12) ?
Cl1 Zn1 Cl2 . . 116.26(6) ?
N1 Zn1 P1 . . 95.11(12) ?
Cl1 Zn1 P1 . . 124.77(6) ?
Cl2 Zn1 P1 . . 100.91(5) ?
C5 Fe1 C5 . 2_766 180.0 ?
C5 Fe1 C2 . . 68.8(3) ?
C5 Fe1 C2 2_766 . 111.2(3) ?
C5 Fe1 C2 . 2_766 111.2(3) ?
C5 Fe1 C2 2_766 2_766 68.8(3) ?
C2 Fe1 C2 . 2_766 180.0 ?
C5 Fe1 C1 . . 40.8(2) ?
C5 Fe1 C1 2_766 . 139.2(2) ?
C2 Fe1 C1 . . 41.1(2) ?
C2 Fe1 C1 2_766 . 138.9(2) ?
C5 Fe1 C1 . 2_766 139.2(2) ?
C5 Fe1 C1 2_766 2_766 40.8(2) ?
C2 Fe1 C1 . 2_766 138.9(2) ?
C2 Fe1 C1 2_766 2_766 41.1(2) ?
C1 Fe1 C1 . 2_766 180.0 ?
C5 Fe1 C4 . 2_766 139.0(2) ?
C5 Fe1 C4 2_766 2_766 41.0(2) ?
C2 Fe1 C4 . 2_766 112.8(3) ?
C2 Fe1 C4 2_766 2_766 67.2(3) ?
C1 Fe1 C4 . 2_766 112.1(2) ?
C1 Fe1 C4 2_766 2_766 67.9(2) ?
C5 Fe1 C4 . . 41.0(2) ?
C5 Fe1 C4 2_766 . 139.0(2) ?
C2 Fe1 C4 . . 67.2(3) ?
C2 Fe1 C4 2_766 . 112.8(3) ?
C1 Fe1 C4 . . 67.9(2) ?
C1 Fe1 C4 2_766 . 112.1(2) ?
C4 Fe1 C4 2_766 . 180.0 ?
C5 Fe1 C3 . . 68.4(3) ?
C5 Fe1 C3 2_766 . 111.6(3) ?
C2 Fe1 C3 . . 40.0(3) ?
C2 Fe1 C3 2_766 . 140.0(3) ?
C1 Fe1 C3 . . 68.1(2) ?
C1 Fe1 C3 2_766 . 111.9(2) ?
C4 Fe1 C3 2_766 . 140.5(3) ?
C4 Fe1 C3 . . 39.5(3) ?
C5 Fe1 C3 . 2_766 111.6(3) ?
C5 Fe1 C3 2_766 2_766 68.4(3) ?
C2 Fe1 C3 . 2_766 140.0(3) ?
C2 Fe1 C3 2_766 2_766 40.0(3) ?
C1 Fe1 C3 . 2_766 111.9(2) ?
C1 Fe1 C3 2_766 2_766 68.1(2) ?
C4 Fe1 C3 2_766 2_766 39.5(3) ?
C4 Fe1 C3 . 2_766 140.5(3) ?
C3 Fe1 C3 . 2_766 180.0 ?
C1 P1 C15 . . 106.3(3) ?
C1 P1 C6 . . 106.2(2) ?
C15 P1 C6 . . 110.7(2) ?
C1 P1 Zn1 . . 120.68(19) ?
C15 P1 Zn1 . . 116.00(17) ?
C6 P1 Zn1 . . 95.94(16) ?
C13 N1 C14 . . 108.4(4) ?
C13 N1 C12 . . 107.2(4) ?
C14 N1 C12 . . 109.5(4) ?
C13 N1 Zn1 . . 110.3(3) ?
C14 N1 Zn1 . . 108.4(3) ?
C12 N1 Zn1 . . 113.0(3) ?
C23 N2 C21 . . 110.9(5) ?
C23 N2 C22 . . 109.8(6) ?
C21 N2 C22 . . 109.3(6) ?
C5 C1 C2 . . 107.5(5) ?
C5 C1 P1 . . 124.6(4) ?
C2 C1 P1 . . 127.9(5) ?
C5 C1 Fe1 . . 69.2(3) ?
C2 C1 Fe1 . . 69.3(3) ?
P1 C1 Fe1 . . 124.3(3) ?
C3 C2 C1 . . 108.1(6) ?
C3 C2 Fe1 . . 70.5(4) ?
C1 C2 Fe1 . . 69.6(3) ?
C3 C2 H2 . . 125.9 ?
C1 C2 H2 . . 125.9 ?
Fe1 C2 H2 . . 125.9 ?
C4 C3 C2 . . 108.6(6) ?
C4 C3 Fe1 . . 70.0(4) ?
C2 C3 Fe1 . . 69.6(4) ?
C4 C3 H3 . . 125.7 ?
C2 C3 H3 . . 125.7 ?
Fe1 C3 H3 . . 125.7 ?
C3 C4 C5 . . 109.2(6) ?
C3 C4 Fe1 . . 70.5(4) ?
C5 C4 Fe1 . . 69.0(3) ?
C3 C4 H4 . . 125.4 ?
C5 C4 H4 . . 125.4 ?
Fe1 C4 H4 . . 125.4 ?
C1 C5 C4 . . 106.6(6) ?
C1 C5 Fe1 . . 70.0(3) ?
C4 C5 Fe1 . . 69.9(4) ?
C1 C5 H5 . . 126.7 ?
C4 C5 H5 . . 126.7 ?
Fe1 C5 H5 . . 126.7 ?
C7 C6 C11 . . 119.9(5) ?
C7 C6 P1 . . 121.7(4) ?
C11 C6 P1 . . 118.2(4) ?
C8 C7 C6 . . 121.1(5) ?
C8 C7 H7 . . 119.5 ?
C6 C7 H7 . . 119.5 ?
C9 C8 C7 . . 119.4(5) ?
C9 C8 H8 . . 120.3 ?
C7 C8 H8 . . 120.3 ?
C10 C9 C8 . . 120.3(5) ?
C10 C9 H9 . . 119.8 ?
C8 C9 H9 . . 119.8 ?
C9 C10 C11 . . 120.9(5) ?
C9 C10 H10 . . 119.6 ?
C11 C10 H10 . . 119.6 ?
C6 C11 C10 . . 118.4(5) ?
C6 C11 C12 . . 122.8(4) ?
C10 C11 C12 . . 118.9(5) ?
C11 C12 N1 . . 114.5(4) ?
C11 C12 H12A . . 108.6 ?
N1 C12 H12A . . 108.6 ?
C11 C12 H12B . . 108.6 ?
N1 C12 H12B . . 108.6 ?
H12A C12 H12B . . 107.6 ?
N1 C13 H13A . . 109.5 ?
N1 C13 H13B . . 109.5 ?
H13A C13 H13B . . 109.5 ?
N1 C13 H13C . . 109.5 ?
H13A C13 H13C . . 109.5 ?
H13B C13 H13C . . 109.5 ?
N1 C14 H14A . . 109.5 ?
N1 C14 H14B . . 109.5 ?
H14A C14 H14B . . 109.5 ?
N1 C14 H14C . . 109.5 ?
H14A C14 H14C . . 109.5 ?
H14B C14 H14C . . 109.5 ?
C20 C15 C16 . . 119.3(5) ?
C20 C15 P1 . . 127.3(4) ?
C16 C15 P1 . . 113.3(4) ?
C17 C16 C15 . . 121.6(5) ?
C17 C16 H16 . . 119.2 ?
C15 C16 H16 . . 119.2 ?
C16 C17 C18 . . 119.8(5) ?
C16 C17 H17 . . 120.1 ?
C18 C17 H17 . . 120.1 ?
C17 C18 C19 . . 119.7(6) ?
C17 C18 H18 . . 120.1 ?
C19 C18 H18 . . 120.1 ?
C18 C19 C20 . . 121.2(6) ?
C18 C19 H19 . . 119.4 ?
C20 C19 H19 . . 119.4 ?
C15 C20 C19 . . 118.2(5) ?
C15 C20 C21 . . 123.9(5) ?
C19 C20 C21 . . 117.8(5) ?
N2 C21 C20 . . 112.3(5) ?
N2 C21 H21A . . 109.1 ?
C20 C21 H21A . . 109.1 ?
N2 C21 H21B . . 109.1 ?
C20 C21 H21B . . 109.1 ?
H21A C21 H21B . . 107.9 ?
N2 C22 H22A . . 109.5 ?
N2 C22 H22B . . 109.5 ?
H22A C22 H22B . . 109.5 ?
N2 C22 H22C . . 109.5 ?
H22A C22 H22C . . 109.5 ?
H22B C22 H22C . . 109.5 ?
N2 C23 H23A . . 109.5 ?
N2 C23 H23B . . 109.5 ?
H23A C23 H23B . . 109.5 ?
N2 C23 H23C . . 109.5 ?
H23A C23 H23C . . 109.5 ?
H23B C23 H23C . . 109.5 ?
N3 Zn2 Cl4 . . 108.40(13) ?
N3 Zn2 Cl3 . . 108.01(13) ?
Cl4 Zn2 Cl3 . . 117.43(6) ?
N3 Zn2 P2 . . 95.97(13) ?
Cl4 Zn2 P2 . . 122.77(6) ?
Cl3 Zn2 P2 . . 101.62(6) ?
C28 Fe2 C28 . 2 180.0 ?
C28 Fe2 C24 . 2 138.8(2) ?
C28 Fe2 C24 2 2 41.2(2) ?
C28 Fe2 C24 . . 41.2(2) ?
C28 Fe2 C24 2 . 138.8(2) ?
C24 Fe2 C24 2 . 180.0 ?
C28 Fe2 C27 . 2 139.7(2) ?
C28 Fe2 C27 2 2 40.3(2) ?
C24 Fe2 C27 2 2 68.1(2) ?
C24 Fe2 C27 . 2 111.9(2) ?
C28 Fe2 C27 . . 40.3(2) ?
C28 Fe2 C27 2 . 139.7(2) ?
C24 Fe2 C27 2 . 111.9(2) ?
C24 Fe2 C27 . . 68.1(2) ?
C27 Fe2 C27 2 . 180.0 ?
C28 Fe2 C25 . 2 111.4(2) ?
C28 Fe2 C25 2 2 68.6(2) ?
C24 Fe2 C25 2 2 40.5(2) ?
C24 Fe2 C25 . 2 139.5(2) ?
C27 Fe2 C25 2 2 67.9(3) ?
C27 Fe2 C25 . 2 112.1(3) ?
C28 Fe2 C25 . . 68.6(2) ?
C28 Fe2 C25 2 . 111.4(2) ?
C24 Fe2 C25 2 . 139.5(2) ?
C24 Fe2 C25 . . 40.5(2) ?
C27 Fe2 C25 2 . 112.1(3) ?
C27 Fe2 C25 . . 67.9(3) ?
C25 Fe2 C25 2 . 180.0 ?
C28 Fe2 C26 . . 67.5(3) ?
C28 Fe2 C26 2 . 112.5(3) ?
C24 Fe2 C26 2 . 112.3(2) ?
C24 Fe2 C26 . . 67.7(2) ?
C27 Fe2 C26 2 . 140.3(3) ?
C27 Fe2 C26 . . 39.7(3) ?
C25 Fe2 C26 2 . 139.6(2) ?
C25 Fe2 C26 . . 40.4(2) ?
C28 Fe2 C26 . 2 112.5(3) ?
C28 Fe2 C26 2 2 67.5(3) ?
C24 Fe2 C26 2 2 67.7(2) ?
C24 Fe2 C26 . 2 112.3(2) ?
C27 Fe2 C26 2 2 39.7(3) ?
C27 Fe2 C26 . 2 140.3(3) ?
C25 Fe2 C26 2 2 40.4(2) ?
C25 Fe2 C26 . 2 139.6(2) ?
C26 Fe2 C26 . 2 180.0(3) ?
C24 P2 C29 . . 107.2(2) ?
C24 P2 C38 . . 106.2(3) ?
C29 P2 C38 . . 108.4(2) ?
C24 P2 Zn2 . . 119.65(19) ?
C29 P2 Zn2 . . 95.59(16) ?
C38 P2 Zn2 . . 118.31(18) ?
C36 N3 C37 . . 109.0(5) ?
C36 N3 C35 . . 109.8(4) ?
C37 N3 C35 . . 107.5(4) ?
C36 N3 Zn2 . . 108.9(3) ?
C37 N3 Zn2 . . 109.9(3) ?
C35 N3 Zn2 . . 111.8(3) ?
C44 N4 C45 . . 110.6(5) ?
C44 N4 C46 . . 109.9(5) ?
C45 N4 C46 . . 108.8(5) ?
C25 C24 C28 . . 107.8(5) ?
C25 C24 P2 . . 124.8(4) ?
C28 C24 P2 . . 127.3(5) ?
C25 C24 Fe2 . . 70.1(3) ?
C28 C24 Fe2 . . 69.4(3) ?
P2 C24 Fe2 . . 123.8(3) ?
C24 C25 C26 . . 107.2(6) ?
C24 C25 Fe2 . . 69.4(3) ?
C26 C25 Fe2 . . 70.1(3) ?
C24 C25 H25 . . 126.4 ?
C26 C25 H25 . . 126.4 ?
Fe2 C25 H25 . . 126.4 ?
C27 C26 C25 . . 108.8(6) ?
C27 C26 Fe2 . . 69.7(4) ?
C25 C26 Fe2 . . 69.5(3) ?
C27 C26 H26 . . 125.6 ?
C25 C26 H26 . . 125.6 ?
Fe2 C26 H26 . . 125.6 ?
C26 C27 C28 . . 108.8(6) ?
C26 C27 Fe2 . . 70.6(4) ?
C28 C27 Fe2 . . 69.6(3) ?
C26 C27 H27 . . 125.6 ?
C28 C27 H27 . . 125.6 ?
Fe2 C27 H27 . . 125.6 ?
C27 C28 C24 . . 107.3(6) ?
C27 C28 Fe2 . . 70.1(4) ?
C24 C28 Fe2 . . 69.5(3) ?
C27 C28 H28 . . 126.4 ?
C24 C28 H28 . . 126.4 ?
Fe2 C28 H28 . . 126.4 ?
C30 C29 C34 . . 119.3(5) ?
C30 C29 P2 . . 122.1(4) ?
C34 C29 P2 . . 118.3(4) ?
C29 C30 C31 . . 120.9(5) ?
C29 C30 H30 . . 119.5 ?
C31 C30 H30 . . 119.5 ?
C32 C31 C30 . . 119.2(5) ?
C32 C31 H31 . . 120.4 ?
C30 C31 H31 . . 120.4 ?
C33 C32 C31 . . 120.4(5) ?
C33 C32 H32 . . 119.8 ?
C31 C32 H32 . . 119.8 ?
C32 C33 C34 . . 121.0(5) ?
C32 C33 H33 . . 119.5 ?
C34 C33 H33 . . 119.5 ?
C33 C34 C29 . . 118.9(5) ?
C33 C34 C35 . . 119.0(5) ?
C29 C34 C35 . . 122.1(5) ?
N3 C35 C34 . . 114.7(4) ?
N3 C35 H35A . . 108.6 ?
C34 C35 H35A . . 108.6 ?
N3 C35 H35B . . 108.6 ?
C34 C35 H35B . . 108.6 ?
H35A C35 H35B . . 107.6 ?
N3 C36 H36A . . 109.5 ?
N3 C36 H36B . . 109.5 ?
H36A C36 H36B . . 109.5 ?
N3 C36 H36C . . 109.5 ?
H36A C36 H36C . . 109.5 ?
H36B C36 H36C . . 109.5 ?
N3 C37 H37A . . 109.5 ?
N3 C37 H37B . . 109.5 ?
H37A C37 H37B . . 109.5 ?
N3 C37 H37C . . 109.5 ?
H37A C37 H37C . . 109.5 ?
H37B C37 H37C . . 109.5 ?
C43 C38 C39 . . 119.7(5) ?
C43 C38 P2 . . 113.6(4) ?
C39 C38 P2 . . 126.7(4) ?
C40 C39 C38 . . 118.0(5) ?
C40 C39 C44 . . 118.4(5) ?
C38 C39 C44 . . 123.6(5) ?
C41 C40 C39 . . 121.8(5) ?
C41 C40 H40 . . 119.1 ?
C39 C40 H40 . . 119.1 ?
C40 C41 C42 . . 120.1(5) ?
C40 C41 H41 . . 119.9 ?
C42 C41 H41 . . 119.9 ?
C43 C42 C41 . . 119.1(5) ?
C43 C42 H42 . . 120.4 ?
C41 C42 H42 . . 120.4 ?
C42 C43 C38 . . 121.1(5) ?
C42 C43 H43 . . 119.4 ?
C38 C43 H43 . . 119.4 ?
N4 C44 C39 . . 112.2(5) ?
N4 C44 H44A . . 109.2 ?
C39 C44 H44A . . 109.2 ?
N4 C44 H44B . . 109.2 ?
C39 C44 H44B . . 109.2 ?
H44A C44 H44B . . 107.9 ?
N4 C45 H45A . . 109.5 ?
N4 C45 H45B . . 109.5 ?
H45A C45 H45B . . 109.5 ?
N4 C45 H45C . . 109.5 ?
H45A C45 H45C . . 109.5 ?
H45B C45 H45C . . 109.5 ?
N4 C46 H46A . . 109.5 ?
N4 C46 H46B . . 109.5 ?
H46A C46 H46B . . 109.5 ?
N4 C46 H46C . . 109.5 ?
H46A C46 H46C . . 109.5 ?
H46B C46 H46C . . 109.5 ?
Cl6 C47 Cl5 . . 112.4(3) ?
Cl6 C47 H47A . . 109.1 ?
Cl5 C47 H47A . . 109.1 ?
Cl6 C47 H47B . . 109.1 ?
Cl5 C47 H47B . . 109.1 ?
H47A C47 H47B . . 107.9 ?
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
Zn1 N1 . 2.114(4) ?
Zn1 Cl1 . 2.2131(14) ?
Zn1 Cl2 . 2.2278(15) ?
Zn1 P1 . 2.4015(15) ?
Fe1 C5 . 2.038(5) ?
Fe1 C5 2_766 2.038(5) ?
Fe1 C2 . 2.045(6) ?
Fe1 C2 2_766 2.045(6) ?
Fe1 C1 . 2.050(5) ?
Fe1 C1 2_766 2.050(5) ?
Fe1 C4 2_766 2.050(6) ?
Fe1 C4 . 2.050(6) ?
Fe1 C3 . 2.056(6) ?
Fe1 C3 2_766 2.056(6) ?
P1 C1 . 1.789(6) ?
P1 C15 . 1.816(5) ?
P1 C6 . 1.826(5) ?
N1 C13 . 1.479(6) ?
N1 C14 . 1.482(6) ?
N1 C12 . 1.497(6) ?
N2 C23 . 1.458(9) ?
N2 C21 . 1.463(7) ?
N2 C22 . 1.465(8) ?
C1 C5 . 1.425(8) ?
C1 C2 . 1.437(8) ?
C2 C3 . 1.401(9) ?
C2 H2 . 1.0000 ?
C3 C4 . 1.389(10) ?
C3 H3 . 1.0000 ?
C4 C5 . 1.433(9) ?
C4 H4 . 1.0000 ?
C5 H5 . 1.0000 ?
C6 C7 . 1.386(7) ?
C6 C11 . 1.400(7) ?
C7 C8 . 1.385(7) ?
C7 H7 . 0.9500 ?
C8 C9 . 1.383(7) ?
C8 H8 . 0.9500 ?
C9 C10 . 1.378(7) ?
C9 H9 . 0.9500 ?
C10 C11 . 1.407(6) ?
C10 H10 . 0.9500 ?
C11 C12 . 1.496(7) ?
C12 H12A . 0.9900 ?
C12 H12B . 0.9900 ?
C13 H13A . 0.9800 ?
C13 H13B . 0.9800 ?
C13 H13C . 0.9800 ?
C14 H14A . 0.9800 ?
C14 H14B . 0.9800 ?
C14 H14C . 0.9800 ?
C15 C20 . 1.401(7) ?
C15 C16 . 1.406(7) ?
C16 C17 . 1.369(7) ?
C16 H16 . 0.9500 ?
C17 C18 . 1.378(8) ?
C17 H17 . 0.9500 ?
C18 C19 . 1.399(8) ?
C18 H18 . 0.9500 ?
C19 C20 . 1.402(8) ?
C19 H19 . 0.9500 ?
C20 C21 . 1.513(8) ?
C21 H21A . 0.9900 ?
C21 H21B . 0.9900 ?
C22 H22A . 0.9800 ?
C22 H22B . 0.9800 ?
C22 H22C . 0.9800 ?
C23 H23A . 0.9800 ?
C23 H23B . 0.9800 ?
C23 H23C . 0.9800 ?
Zn2 N3 . 2.121(4) ?
Zn2 Cl4 . 2.2087(14) ?
Zn2 Cl3 . 2.2299(15) ?
Zn2 P2 . 2.4002(15) ?
Fe2 C28 . 2.047(6) ?
Fe2 C28 2 2.047(6) ?
Fe2 C24 2 2.048(5) ?
Fe2 C24 . 2.048(5) ?
Fe2 C27 2 2.053(6) ?
Fe2 C27 . 2.053(6) ?
Fe2 C25 2 2.057(5) ?
Fe2 C25 . 2.057(5) ?
Fe2 C26 . 2.064(6) ?
Fe2 C26 2 2.064(6) ?
P2 C24 . 1.798(6) ?
P2 C29 . 1.823(5) ?
P2 C38 . 1.825(5) ?
N3 C36 . 1.471(7) ?
N3 C37 . 1.472(7) ?
N3 C35 . 1.494(7) ?
N4 C44 . 1.458(7) ?
N4 C45 . 1.460(8) ?
N4 C46 . 1.469(8) ?
C24 C25 . 1.420(8) ?
C24 C28 . 1.440(8) ?
C25 C26 . 1.424(9) ?
C25 H25 . 1.0000 ?
C26 C27 . 1.396(10) ?
C26 H26 . 1.0000 ?
C27 C28 . 1.411(9) ?
C27 H27 . 1.0000 ?
C28 H28 . 1.0000 ?
C29 C30 . 1.391(7) ?
C29 C34 . 1.409(7) ?
C30 C31 . 1.394(7) ?
C30 H30 . 0.9500 ?
C31 C32 . 1.388(7) ?
C31 H31 . 0.9500 ?
C32 C33 . 1.379(7) ?
C32 H32 . 0.9500 ?
C33 C34 . 1.393(7) ?
C33 H33 . 0.9500 ?
C34 C35 . 1.513(7) ?
C35 H35A . 0.9900 ?
C35 H35B . 0.9900 ?
C36 H36A . 0.9800 ?
C36 H36B . 0.9800 ?
C36 H36C . 0.9800 ?
C37 H37A . 0.9800 ?
C37 H37B . 0.9800 ?
C37 H37C . 0.9800 ?
C38 C43 . 1.399(7) ?
C38 C39 . 1.408(7) ?
C39 C40 . 1.395(7) ?
C39 C44 . 1.521(7) ?
C40 C41 . 1.381(8) ?
C40 H40 . 0.9500 ?
C41 C42 . 1.389(7) ?
C41 H41 . 0.9500 ?
C42 C43 . 1.385(7) ?
C42 H42 . 0.9500 ?
C43 H43 . 0.9500 ?
C44 H44A . 0.9900 ?
C44 H44B . 0.9900 ?
C45 H45A . 0.9800 ?
C45 H45B . 0.9800 ?
C45 H45C . 0.9800 ?
C46 H46A . 0.9800 ?
C46 H46B . 0.9800 ?
C46 H46C . 0.9800 ?
Cl5 C47 . 1.766(6) ?
Cl6 C47 . 1.732(6) ?
C47 H47A . 0.9900 ?
C47 H47B . 0.9900 ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
C15 P1 C1 C5 . . . . -169.2(4) ?
C6 P1 C1 C5 . . . . 72.8(5) ?
Zn1 P1 C1 C5 . . . . -34.5(5) ?
C15 P1 C1 C2 . . . . 7.0(5) ?
C6 P1 C1 C2 . . . . -110.9(5) ?
Zn1 P1 C1 C2 . . . . 141.8(4) ?
C15 P1 C1 Fe1 . . . . -82.2(4) ?
C6 P1 C1 Fe1 . . . . 159.8(3) ?
Zn1 P1 C1 Fe1 . . . . 52.5(4) ?
C5 C1 C2 C3 . . . . -1.4(6) ?
P1 C1 C2 C3 . . . . -178.1(4) ?
Fe1 C1 C2 C3 . . . . -60.2(4) ?
C5 C1 C2 Fe1 . . . . 58.8(4) ?
P1 C1 C2 Fe1 . . . . -117.9(4) ?
C1 C2 C3 C4 . . . . 0.4(7) ?
Fe1 C2 C3 C4 . . . . -59.3(4) ?
C1 C2 C3 Fe1 . . . . 59.7(4) ?
C2 C3 C4 C5 . . . . 0.8(7) ?
Fe1 C3 C4 C5 . . . . -58.3(4) ?
C2 C3 C4 Fe1 . . . . 59.1(4) ?
C2 C1 C5 C4 . . . . 1.8(6) ?
P1 C1 C5 C4 . . . . 178.7(4) ?
Fe1 C1 C5 C4 . . . . 60.7(4) ?
C2 C1 C5 Fe1 . . . . -58.9(4) ?
P1 C1 C5 Fe1 . . . . 118.0(4) ?
C3 C4 C5 C1 . . . . -1.6(6) ?
Fe1 C4 C5 C1 . . . . -60.8(4) ?
C3 C4 C5 Fe1 . . . . 59.2(4) ?
C1 P1 C6 C7 . . . . -1.8(5) ?
C15 P1 C6 C7 . . . . -116.8(4) ?
Zn1 P1 C6 C7 . . . . 122.5(4) ?
C1 P1 C6 C11 . . . . -175.6(4) ?
C15 P1 C6 C11 . . . . 69.5(4) ?
Zn1 P1 C6 C11 . . . . -51.2(4) ?
C11 C6 C7 C8 . . . . -1.4(8) ?
P1 C6 C7 C8 . . . . -175.0(4) ?
C6 C7 C8 C9 . . . . 0.8(8) ?
C7 C8 C9 C10 . . . . 0.8(8) ?
C8 C9 C10 C11 . . . . -1.7(8) ?
C7 C6 C11 C10 . . . . 0.5(7) ?
P1 C6 C11 C10 . . . . 174.3(4) ?
C7 C6 C11 C12 . . . . 179.5(5) ?
P1 C6 C11 C12 . . . . -6.7(7) ?
C9 C10 C11 C6 . . . . 1.1(7) ?
C9 C10 C11 C12 . . . . -178.0(5) ?
C6 C11 C12 N1 . . . . 75.4(6) ?
C10 C11 C12 N1 . . . . -105.6(5) ?
C13 N1 C12 C11 . . . . -173.5(4) ?
C14 N1 C12 C11 . . . . 69.1(5) ?
Zn1 N1 C12 C11 . . . . -51.7(5) ?
C1 P1 C15 C20 . . . . -73.0(5) ?
C6 P1 C15 C20 . . . . 41.9(6) ?
Zn1 P1 C15 C20 . . . . 149.8(5) ?
C1 P1 C15 C16 . . . . 106.3(4) ?
C6 P1 C15 C16 . . . . -138.7(4) ?
Zn1 P1 C15 C16 . . . . -30.8(4) ?
C20 C15 C16 C17 . . . . 1.1(8) ?
P1 C15 C16 C17 . . . . -178.3(4) ?
C15 C16 C17 C18 . . . . -1.2(9) ?
C16 C17 C18 C19 . . . . -0.6(9) ?
C17 C18 C19 C20 . . . . 2.4(10) ?
C16 C15 C20 C19 . . . . 0.6(8) ?
P1 C15 C20 C19 . . . . 179.9(5) ?
C16 C15 C20 C21 . . . . -176.8(5) ?
P1 C15 C20 C21 . . . . 2.5(9) ?
C18 C19 C20 C15 . . . . -2.3(9) ?
C18 C19 C20 C21 . . . . 175.2(6) ?
C23 N2 C21 C20 . . . . 65.5(7) ?
C22 N2 C21 C20 . . . . -173.2(5) ?
C15 C20 C21 N2 . . . . -139.6(6) ?
C19 C20 C21 N2 . . . . 43.0(8) ?
C29 P2 C24 C25 . . . . 77.1(5) ?
C38 P2 C24 C25 . . . . -167.2(4) ?
Zn2 P2 C24 C25 . . . . -30.0(5) ?
C29 P2 C24 C28 . . . . -106.1(5) ?
C38 P2 C24 C28 . . . . 9.6(5) ?
Zn2 P2 C24 C28 . . . . 146.8(4) ?
C29 P2 C24 Fe2 . . . . 165.2(3) ?
C38 P2 C24 Fe2 . . . . -79.1(4) ?
Zn2 P2 C24 Fe2 . . . . 58.1(4) ?
C28 C24 C25 C26 . . . . 0.8(6) ?
P2 C24 C25 C26 . . . . 178.2(4) ?
Fe2 C24 C25 C26 . . . . 60.2(4) ?
C28 C24 C25 Fe2 . . . . -59.3(4) ?
P2 C24 C25 Fe2 . . . . 118.0(4) ?
C24 C25 C26 C27 . . . . -1.0(7) ?
Fe2 C25 C26 C27 . . . . 58.8(4) ?
C24 C25 C26 Fe2 . . . . -59.7(4) ?
C25 C26 C27 C28 . . . . 0.7(7) ?
Fe2 C26 C27 C28 . . . . 59.4(4) ?
C25 C26 C27 Fe2 . . . . -58.6(4) ?
C26 C27 C28 C24 . . . . -0.2(6) ?
Fe2 C27 C28 C24 . . . . 59.8(4) ?
C26 C27 C28 Fe2 . . . . -60.0(4) ?
C25 C24 C28 C27 . . . . -0.4(6) ?
P2 C24 C28 C27 . . . . -177.6(4) ?
Fe2 C24 C28 C27 . . . . -60.2(4) ?
C25 C24 C28 Fe2 . . . . 59.8(4) ?
P2 C24 C28 Fe2 . . . . -117.5(4) ?
C24 P2 C29 C30 . . . . -3.1(5) ?
C38 P2 C29 C30 . . . . -117.3(4) ?
Zn2 P2 C29 C30 . . . . 120.4(4) ?
C24 P2 C29 C34 . . . . -176.9(4) ?
C38 P2 C29 C34 . . . . 68.9(4) ?
Zn2 P2 C29 C34 . . . . -53.5(4) ?
C34 C29 C30 C31 . . . . -4.5(7) ?
P2 C29 C30 C31 . . . . -178.3(4) ?
C29 C30 C31 C32 . . . . 0.6(8) ?
C30 C31 C32 C33 . . . . 2.5(8) ?
C31 C32 C33 C34 . . . . -1.7(8) ?
C32 C33 C34 C29 . . . . -2.3(8) ?
C32 C33 C34 C35 . . . . 179.2(5) ?
C30 C29 C34 C33 . . . . 5.3(7) ?
P2 C29 C34 C33 . . . . 179.3(4) ?
C30 C29 C34 C35 . . . . -176.2(5) ?
P2 C29 C34 C35 . . . . -2.2(7) ?
C36 N3 C35 C34 . . . . 65.9(6) ?
C37 N3 C35 C34 . . . . -175.7(4) ?
Zn2 N3 C35 C34 . . . . -55.1(5) ?
C33 C34 C35 N3 . . . . -107.2(5) ?
C29 C34 C35 N3 . . . . 74.3(6) ?
C24 P2 C38 C43 . . . . 110.2(4) ?
C29 P2 C38 C43 . . . . -134.9(4) ?
Zn2 P2 C38 C43 . . . . -27.7(5) ?
C24 P2 C38 C39 . . . . -69.4(5) ?
C29 P2 C38 C39 . . . . 45.6(5) ?
Zn2 P2 C38 C39 . . . . 152.8(4) ?
C43 C38 C39 C40 . . . . 0.2(8) ?
P2 C38 C39 C40 . . . . 179.7(4) ?
C43 C38 C39 C44 . . . . -177.2(5) ?
P2 C38 C39 C44 . . . . 2.4(8) ?
C38 C39 C40 C41 . . . . -1.7(9) ?
C44 C39 C40 C41 . . . . 175.8(5) ?
C39 C40 C41 C42 . . . . 1.6(9) ?
C40 C41 C42 C43 . . . . 0.0(9) ?
C41 C42 C43 C38 . . . . -1.5(8) ?
C39 C38 C43 C42 . . . . 1.4(8) ?
P2 C38 C43 C42 . . . . -178.2(4) ?
C45 N4 C44 C39 . . . . 66.4(6) ?
C46 N4 C44 C39 . . . . -173.4(5) ?
C40 C39 C44 N4 . . . . 44.6(7) ?
C38 C39 C44 N4 . . . . -138.1(5) ?

_cod_database_fobs_code 2022576
