#------------------------------------------------------------------------------
#$Date: 2016-03-26 17:53:29 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180403 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/72/7207229.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7207229
loop_
_publ_author_name
'Li, Xiao-Zeng'
'Hao, Peng-Peng'
'Wang, Dan'
'Zhang, Wen-Qin'
'Zhu, Li-Na'
_publ_section_title
;
 New metalloligands suitable for the construction of polynuclear complexes
 and coordination polymers with exposed metal sites
;
_journal_issue                   2
_journal_name_full               CrystEngComm
_journal_page_first              366
_journal_paper_doi               10.1039/c1ce06273e
_journal_volume                  14
_journal_year                    2012
_chemical_formula_sum            'C26 H26 Fe N4 Ni O11'
_chemical_formula_weight         685.04
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 91.679(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.932(3)
_cell_length_b                   8.8699(19)
_cell_length_c                   19.240(4)
_cell_measurement_reflns_used    9763
_cell_measurement_temperature    113(2)
_cell_measurement_theta_max      27.9
_cell_measurement_theta_min      1.6
_cell_volume                     2717.7(10)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalClear
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      113(2)
_diffrn_detector_area_resol_mean 14.63
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Rigaku Saturn CCD area detector'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  multilayer
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0285
_diffrn_reflns_av_sigmaI/netI    0.0272
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            19353
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         1.64
_exptl_absorpt_coefficient_mu    1.296
_exptl_absorpt_correction_T_max  0.8600
_exptl_absorpt_correction_T_min  0.7815
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   CrystalClear
_exptl_crystal_colour            Red
_exptl_crystal_density_diffrn    1.675
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             1384
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.12
_refine_diff_density_max         1.853
_refine_diff_density_min         -0.819
_refine_diff_density_rms         0.113
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.065
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     415
_refine_ls_number_reflns         4788
_refine_ls_number_restraints     28
_refine_ls_restrained_S_all      1.074
_refine_ls_R_factor_all          0.0509
_refine_ls_R_factor_gt           0.0481
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0859P)²+7.1133P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1434
_refine_ls_wR_factor_ref         0.1455
_reflns_number_gt                4364
_reflns_number_total             4788
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1ce06273e.txt
_cod_data_source_block           m091228f
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'MULTI-SCAN'
changed to 'multi-scan' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               7207229
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'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ni1 Ni 0.80695(2) 0.44440(4) 0.111630(16) 0.01518(8) Uani 1 1 d . . .
Fe1 Fe 1.04713(2) 0.51831(5) 0.29587(2) 0.02241(10) Uani 1 1 d . . .
O1 O 0.97102(11) 0.3334(2) 0.25457(9) 0.0219(4) Uani 1 1 d . A .
O2 O 1.01888(11) 0.5843(2) 0.18901(9) 0.0215(4) Uani 1 1 d . A .
O3 O 0.71958(13) 0.8974(3) -0.03871(12) 0.0369(6) Uani 1 1 d . . .
O4 O 0.70241(14) 0.6720(3) -0.09185(11) 0.0376(6) Uani 1 1 d . . .
O5 O 0.58326(12) 0.0887(2) 0.06533(9) 0.0238(5) Uani 1 1 d . . .
O6 O 0.57135(11) 0.1084(2) 0.18176(9) 0.0206(4) Uani 1 1 d . . .
O7 O 1.10757(14) 0.7270(3) 0.30242(11) 0.0408(6) Uani 1 1 d . A .
H7B H 1.1027 0.7886 0.2689 0.049 Uiso 1 1 d R . .
H7C H 1.1369 0.7492 0.3385 0.049 Uiso 1 1 d R . .
O8 O 1.07143(12) 0.4920(2) 0.40350(10) 0.0266(5) Uani 1 1 d D A .
N1 N 0.90935(14) 0.5455(2) 0.10791(11) 0.0176(5) Uani 1 1 d . . .
N2 N 0.75036(13) 0.5875(2) 0.05624(11) 0.0171(5) Uani 1 1 d . . .
N3 N 0.70350(13) 0.3448(2) 0.11657(11) 0.0166(5) Uani 1 1 d . . .
N4 N 0.86302(13) 0.3075(2) 0.17056(11) 0.0173(5) Uani 1 1 d . A .
C1 C 0.92838(16) 0.3736(3) 0.20254(13) 0.0177(6) Uani 1 1 d . . .
C2 C 0.95599(16) 0.5168(3) 0.16507(13) 0.0182(6) Uani 1 1 d . A .
C3 C 0.93425(17) 0.6459(3) 0.05592(13) 0.0192(6) Uani 1 1 d . . .
C4 C 1.01926(18) 0.6838(4) 0.04820(15) 0.0275(7) Uani 1 1 d . . .
H4A H 1.0603 0.6473 0.0808 0.033 Uiso 1 1 calc R . .
C5 C 1.04378(18) 0.7737(4) -0.00632(15) 0.0295(7) Uani 1 1 d . . .
H5A H 1.1015 0.7972 -0.0108 0.035 Uiso 1 1 calc R . .
C6 C 0.98605(18) 0.8297(4) -0.05418(15) 0.0280(7) Uani 1 1 d . . .
H6A H 1.0035 0.8925 -0.0910 0.034 Uiso 1 1 calc R . .
C7 C 0.90261(18) 0.7936(3) -0.04797(14) 0.0270(7) Uani 1 1 d . . .
H7A H 0.8629 0.8314 -0.0813 0.032 Uiso 1 1 calc R . .
C8 C 0.87419(17) 0.7012(3) 0.00698(13) 0.0203(6) Uani 1 1 d . . .
C9 C 0.78392(17) 0.6770(3) 0.01098(13) 0.0212(6) Uani 1 1 d . . .
C10 C 0.72952(18) 0.7573(4) -0.04507(15) 0.0295(7) Uani 1 1 d . . .
C11 C 0.66163(16) 0.5784(3) 0.06527(13) 0.0174(6) Uani 1 1 d . . .
C12 C 0.60396(17) 0.6926(3) 0.05106(14) 0.0218(6) Uani 1 1 d . . .
H12A H 0.6223 0.7858 0.0325 0.026 Uiso 1 1 calc R . .
C13 C 0.51963(17) 0.6706(3) 0.06389(14) 0.0238(7) Uani 1 1 d . . .
H13A H 0.4798 0.7469 0.0523 0.029 Uiso 1 1 calc R . .
C14 C 0.49392(18) 0.5379(3) 0.09337(15) 0.0233(7) Uani 1 1 d . . .
H14A H 0.4360 0.5226 0.1013 0.028 Uiso 1 1 calc R . .
C15 C 0.55107(17) 0.4262(3) 0.11178(14) 0.0216(6) Uani 1 1 d . . .
H15A H 0.5327 0.3372 0.1342 0.026 Uiso 1 1 calc R . .
C16 C 0.63553(17) 0.4448(3) 0.09731(13) 0.0180(6) Uani 1 1 d . . .
C17 C 0.69292(16) 0.2034(3) 0.13210(13) 0.0177(6) Uani 1 1 d . . .
C18 C 0.60718(16) 0.1268(3) 0.12440(14) 0.0193(6) Uani 1 1 d . . .
C19 C 0.76010(17) 0.1047(3) 0.15864(13) 0.0191(6) Uani 1 1 d . A .
C20 C 0.74160(18) -0.0503(3) 0.16483(14) 0.0223(6) Uani 1 1 d . . .
H20A H 0.6879 -0.0858 0.1495 0.027 Uiso 1 1 calc R . .
C21 C 0.79901(18) -0.1514(3) 0.19240(14) 0.0238(7) Uani 1 1 d . . .
H21A H 0.7854 -0.2554 0.1955 0.029 Uiso 1 1 calc R . .
C22 C 0.87738(18) -0.0990(3) 0.21564(14) 0.0234(7) Uani 1 1 d . . .
H22A H 0.9176 -0.1679 0.2345 0.028 Uiso 1 1 calc R . .
C23 C 0.89712(18) 0.0526(3) 0.21151(14) 0.0217(6) Uani 1 1 d . A .
H23A H 0.9502 0.0867 0.2289 0.026 Uiso 1 1 calc R . .
C24 C 0.84001(16) 0.1570(3) 0.18206(13) 0.0181(6) Uani 1 1 d . . .
O9 O 1.1598(6) 0.4383(14) 0.2651(5) 0.059(3) Uani 0.25 1 d PDU A 1
C25 C 1.2047(11) 0.443(4) 0.2025(7) 0.117(6) Uani 0.25 1 d PDU A 1
O9' O 1.1519(2) 0.3771(4) 0.28173(16) 0.0395(9) Uani 0.75 1 d P A 2
C25' C 1.1639(5) 0.2729(10) 0.2281(4) 0.099(2) Uani 0.75 1 d PU A 2
O10 O 0.24065(18) 0.8475(3) 0.10827(15) 0.0578(8) Uani 1 1 d . . .
H10 H 0.2280 0.9175 0.0805 0.087 Uiso 1 1 calc R . .
C26 C 0.2657(3) 0.7154(6) 0.0694(3) 0.0820(16) Uani 1 1 d U . .
H26A H 0.3269 0.7147 0.0655 0.123 Uiso 1 1 calc R . .
H26B H 0.2393 0.7182 0.0228 0.123 Uiso 1 1 calc R . .
H26C H 0.2480 0.6241 0.0936 0.123 Uiso 1 1 calc R . .
O11 O 0.8976(3) 0.1003(5) 0.8140(2) 0.1122(16) Uani 1 1 d . . .
H8B H 1.1211(4) 0.521(3) 0.4142(15) 0.135 Uiso 1 1 d D . .
H8A H 1.0326(6) 0.524(3) 0.4292(10) 0.135 Uiso 1 1 d D . .
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'
Ni Ni 0.3393 1.1124 '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'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
N1 Ni1 N4 86.13(9) . .
N1 Ni1 N2 93.41(9) . .
N4 Ni1 N2 177.31(9) . .
N1 Ni1 N3 179.07(10) . .
N4 Ni1 N3 93.92(9) . .
N2 Ni1 N3 86.49(9) . .
O9 Fe1 O7 85.3(3) . .
O9 Fe1 O6 174.7(3) . 2_655
O7 Fe1 O6 93.76(9) . 2_655
O9 Fe1 O8 96.3(3) . .
O7 Fe1 O8 88.16(8) . .
O6 Fe1 O8 88.93(7) 2_655 .
O9 Fe1 O9' 17.8(3) . .
O7 Fe1 O9' 99.70(12) . .
O6 Fe1 O9' 165.60(12) 2_655 .
O8 Fe1 O9' 86.43(10) . .
O9 Fe1 O2 88.8(3) . .
O7 Fe1 O2 84.31(8) . .
O6 Fe1 O2 85.93(7) 2_655 .
O8 Fe1 O2 170.58(8) . .
O9' Fe1 O2 100.40(10) . .
O9 Fe1 O1 96.8(3) . .
O7 Fe1 O1 160.22(8) . .
O6 Fe1 O1 82.39(7) 2_655 .
O8 Fe1 O1 111.07(7) . .
O9' Fe1 O1 86.57(11) . .
O2 Fe1 O1 76.09(7) . .
C1 O1 Fe1 111.24(17) . .
C2 O2 Fe1 111.31(17) . .
C18 O6 Fe1 130.98(17) . 2_645
Fe1 O7 H7B 119.6 . .
Fe1 O7 H7C 119.8 . .
H7B O7 H7C 120.6 . .
Fe1 O8 H8B 110(2) . .
Fe1 O8 H8A 114.6(15) . .
H8B O8 H8A 116.3(17) . .
C2 N1 C3 123.1(2) . .
C2 N1 Ni1 110.12(18) . .
C3 N1 Ni1 126.70(17) . .
C9 N2 C11 122.7(2) . .
C9 N2 Ni1 126.36(19) . .
C11 N2 Ni1 110.71(16) . .
C17 N3 C16 123.5(2) . .
C17 N3 Ni1 125.84(18) . .
C16 N3 Ni1 110.63(16) . .
C1 N4 C24 123.4(2) . .
C1 N4 Ni1 110.33(17) . .
C24 N4 Ni1 126.21(17) . .
O1 C1 N4 130.3(2) . .
O1 C1 C2 117.3(2) . .
N4 C1 C2 112.3(2) . .
O2 C2 N1 129.6(3) . .
O2 C2 C1 117.6(2) . .
N1 C2 C1 112.7(2) . .
N1 C3 C4 121.3(2) . .
N1 C3 C8 119.7(2) . .
C4 C3 C8 118.8(2) . .
C5 C4 C3 120.8(3) . .
C5 C4 H4A 119.6 . .
C3 C4 H4A 119.6 . .
C6 C5 C4 121.2(3) . .
C6 C5 H5A 119.4 . .
C4 C5 H5A 119.4 . .
C5 C6 C7 119.1(3) . .
C5 C6 H6A 120.4 . .
C7 C6 H6A 120.4 . .
C6 C7 C8 121.9(3) . .
C6 C7 H7A 119.1 . .
C8 C7 H7A 119.1 . .
C3 C8 C7 118.2(2) . .
C3 C8 C9 124.4(2) . .
C7 C8 C9 117.4(2) . .
N2 C9 C8 123.3(2) . .
N2 C9 C10 121.1(2) . .
C8 C9 C10 115.5(2) . .
O4 C10 O3 129.0(3) . .
O4 C10 C9 113.7(3) . .
O3 C10 C9 117.3(3) . .
C12 C11 C16 119.9(2) . .
C12 C11 N2 125.8(2) . .
C16 C11 N2 114.0(2) . .
C13 C12 C11 120.1(3) . .
C13 C12 H12A 120.0 . .
C11 C12 H12A 120.0 . .
C14 C13 C12 119.8(3) . .
C14 C13 H13A 120.1 . .
C12 C13 H13A 120.1 . .
C13 C14 C15 121.1(3) . .
C13 C14 H14A 119.4 . .
C15 C14 H14A 119.4 . .
C14 C15 C16 119.7(3) . .
C14 C15 H15A 120.1 . .
C16 C15 H15A 120.1 . .
C15 C16 C11 119.2(2) . .
C15 C16 N3 126.8(2) . .
C11 C16 N3 113.7(2) . .
N3 C17 C19 124.0(2) . .
N3 C17 C18 121.8(2) . .
C19 C17 C18 114.2(2) . .
O5 C18 O6 129.1(2) . .
O5 C18 C17 117.5(2) . .
O6 C18 C17 113.4(2) . .
C20 C19 C24 118.7(2) . .
C20 C19 C17 117.4(2) . .
C24 C19 C17 123.8(2) . .
C21 C20 C19 122.0(3) . .
C21 C20 H20A 119.0 . .
C19 C20 H20A 119.0 . .
C20 C21 C22 119.0(3) . .
C20 C21 H21A 120.5 . .
C22 C21 H21A 120.5 . .
C23 C22 C21 120.6(3) . .
C23 C22 H22A 119.7 . .
C21 C22 H22A 119.7 . .
C22 C23 C24 121.2(3) . .
C22 C23 H23A 119.4 . .
C24 C23 H23A 119.4 . .
N4 C24 C23 121.4(2) . .
N4 C24 C19 119.9(2) . .
C23 C24 C19 118.5(2) . .
C25 O9 Fe1 135.0(12) . .
C25' O9' Fe1 127.7(4) . .
C26 O10 H10 109.5 . .
O10 C26 H26A 109.5 . .
O10 C26 H26B 109.5 . .
H26A C26 H26B 109.5 . .
O10 C26 H26C 109.5 . .
H26A C26 H26C 109.5 . .
H26B C26 H26C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ni1 N1 1.865(2) .
Ni1 N4 1.871(2) .
Ni1 N2 1.872(2) .
Ni1 N3 1.875(2) .
Fe1 O9 2.035(10) .
Fe1 O7 2.089(2) .
Fe1 O6 2.1060(19) 2_655
Fe1 O8 2.108(2) .
Fe1 O9' 2.111(3) .
Fe1 O2 2.1721(19) .
Fe1 O1 2.1763(19) .
O1 C1 1.245(3) .
O2 C2 1.244(3) .
O3 C10 1.260(4) .
O4 C10 1.243(4) .
O5 C18 1.235(3) .
O6 C18 1.268(3) .
O6 Fe1 2.1060(19) 2_645
O7 H7B 0.8471 .
O7 H7C 0.8476 .
O8 H8B 0.852(9) .
O8 H8A 0.854(9) .
N1 C2 1.333(3) .
N1 C3 1.405(3) .
N2 C9 1.304(3) .
N2 C11 1.432(3) .
N3 C17 1.301(3) .
N3 C16 1.440(3) .
N4 C1 1.330(3) .
N4 C24 1.403(3) .
C1 C2 1.531(4) .
C3 C4 1.408(4) .
C3 C8 1.411(4) .
C4 C5 1.383(4) .
C4 H4A 0.9500 .
C5 C6 1.375(4) .
C5 H5A 0.9500 .
C6 C7 1.376(4) .
C6 H6A 0.9500 .
C7 C8 1.422(4) .
C7 H7A 0.9500 .
C8 C9 1.458(4) .
C9 C10 1.538(4) .
C11 C12 1.389(4) .
C11 C16 1.404(4) .
C12 C13 1.387(4) .
C12 H12A 0.9500 .
C13 C14 1.374(4) .
C13 H13A 0.9500 .
C14 C15 1.385(4) .
C14 H14A 0.9500 .
C15 C16 1.392(4) .
C15 H15A 0.9500 .
C17 C19 1.463(4) .
C17 C18 1.529(4) .
C19 C20 1.412(4) .
C19 C24 1.416(4) .
C20 C21 1.376(4) .
C20 H20A 0.9500 .
C21 C22 1.394(4) .
C21 H21A 0.9500 .
C22 C23 1.383(4) .
C22 H22A 0.9500 .
C23 C24 1.406(4) .
C23 H23A 0.9500 .
O9 C25 1.419(9) .
O9' C25' 1.403(8) .
O10 C26 1.453(6) .
O10 H10 0.8400 .
C26 H26A 0.9800 .
C26 H26B 0.9800 .
C26 H26C 0.9800 .
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
_geom_torsion_site_symmetry_1
O9 Fe1 O1 C1 -108.2(3) .
O7 Fe1 O1 C1 -13.3(3) .
O6 Fe1 O1 C1 66.55(17) 2_655
O8 Fe1 O1 C1 152.44(16) .
O9' Fe1 O1 C1 -122.72(19) .
O2 Fe1 O1 C1 -21.12(16) .
O9 Fe1 O2 C2 118.2(4) .
O7 Fe1 O2 C2 -156.41(19) .
O6 Fe1 O2 C2 -62.21(18) 2_655
O8 Fe1 O2 C2 -119.3(5) .
O9' Fe1 O2 C2 104.7(2) .
O1 Fe1 O2 C2 20.95(17) .
N4 Ni1 N1 C2 -25.60(18) .
N2 Ni1 N1 C2 151.75(18) .
N3 Ni1 N1 C2 68(6) .
N4 Ni1 N1 C3 158.3(2) .
N2 Ni1 N1 C3 -24.3(2) .
N3 Ni1 N1 C3 -109(6) .
N1 Ni1 N2 C9 24.8(2) .
N4 Ni1 N2 C9 105(2) .
N3 Ni1 N2 C9 -156.1(2) .
N1 Ni1 N2 C11 -160.25(17) .
N4 Ni1 N2 C11 -80(2) .
N3 Ni1 N2 C11 18.82(17) .
N1 Ni1 N3 C17 -116(6) .
N4 Ni1 N3 C17 -23.4(2) .
N2 Ni1 N3 C17 159.2(2) .
N1 Ni1 N3 C16 66(6) .
N4 Ni1 N3 C16 159.42(16) .
N2 Ni1 N3 C16 -17.92(16) .
N1 Ni1 N4 C1 25.46(18) .
N2 Ni1 N4 C1 -55(2) .
N3 Ni1 N4 C1 -153.60(18) .
N1 Ni1 N4 C24 -156.1(2) .
N2 Ni1 N4 C24 124(2) .
N3 Ni1 N4 C24 24.8(2) .
Fe1 O1 C1 N4 -165.1(2) .
Fe1 O1 C1 C2 18.8(3) .
C24 N4 C1 O1 -14.3(4) .
Ni1 N4 C1 O1 164.2(2) .
C24 N4 C1 C2 161.9(2) .
Ni1 N4 C1 C2 -19.6(3) .
Fe1 O2 C2 N1 165.6(2) .
Fe1 O2 C2 C1 -18.4(3) .
C3 N1 C2 O2 12.6(4) .
Ni1 N1 C2 O2 -163.6(2) .
C3 N1 C2 C1 -163.5(2) .
Ni1 N1 C2 C1 20.2(3) .
O1 C1 C2 O2 -0.3(4) .
N4 C1 C2 O2 -177.1(2) .
O1 C1 C2 N1 176.4(2) .
N4 C1 C2 N1 -0.4(3) .
C2 N1 C3 C4 21.7(4) .
Ni1 N1 C3 C4 -162.7(2) .
C2 N1 C3 C8 -163.2(2) .
Ni1 N1 C3 C8 12.3(4) .
N1 C3 C4 C5 175.1(3) .
C8 C3 C4 C5 0.0(4) .
C3 C4 C5 C6 0.6(5) .
C4 C5 C6 C7 -0.9(5) .
C5 C6 C7 C8 0.7(5) .
N1 C3 C8 C7 -175.4(2) .
C4 C3 C8 C7 -0.2(4) .
N1 C3 C8 C9 8.2(4) .
C4 C3 C8 C9 -176.6(3) .
C6 C7 C8 C3 -0.1(4) .
C6 C7 C8 C9 176.6(3) .
C11 N2 C9 C8 172.2(2) .
Ni1 N2 C9 C8 -13.4(4) .
C11 N2 C9 C10 -11.5(4) .
Ni1 N2 C9 C10 162.9(2) .
C3 C8 C9 N2 -7.9(4) .
C7 C8 C9 N2 175.7(3) .
C3 C8 C9 C10 175.7(3) .
C7 C8 C9 C10 -0.7(4) .
N2 C9 C10 O4 -72.5(3) .
C8 C9 C10 O4 104.0(3) .
N2 C9 C10 O3 108.7(3) .
C8 C9 C10 O3 -74.8(3) .
C9 N2 C11 C12 -26.7(4) .
Ni1 N2 C11 C12 158.2(2) .
C9 N2 C11 C16 159.4(2) .
Ni1 N2 C11 C16 -15.8(3) .
C16 C11 C12 C13 -4.6(4) .
N2 C11 C12 C13 -178.3(2) .
C11 C12 C13 C14 2.7(4) .
C12 C13 C14 C15 1.2(4) .
C13 C14 C15 C16 -3.1(4) .
C14 C15 C16 C11 1.1(4) .
C14 C15 C16 N3 175.9(2) .
C12 C11 C16 C15 2.7(4) .
N2 C11 C16 C15 177.1(2) .
C12 C11 C16 N3 -172.7(2) .
N2 C11 C16 N3 1.6(3) .
C17 N3 C16 C15 21.0(4) .
Ni1 N3 C16 C15 -161.7(2) .
C17 N3 C16 C11 -164.0(2) .
Ni1 N3 C16 C11 13.3(3) .
C16 N3 C17 C19 -173.4(2) .
Ni1 N3 C17 C19 9.8(4) .
C16 N3 C17 C18 6.0(4) .
Ni1 N3 C17 C18 -170.82(18) .
Fe1 O6 C18 O5 -4.2(4) 2_645
Fe1 O6 C18 C17 177.63(16) 2_645
N3 C17 C18 O5 78.3(3) .
C19 C17 C18 O5 -102.2(3) .
N3 C17 C18 O6 -103.3(3) .
C19 C17 C18 O6 76.2(3) .
N3 C17 C19 C20 -172.2(2) .
C18 C17 C19 C20 8.3(3) .
N3 C17 C19 C24 11.7(4) .
C18 C17 C19 C24 -167.7(2) .
C24 C19 C20 C21 -0.5(4) .
C17 C19 C20 C21 -176.8(2) .
C19 C20 C21 C22 0.8(4) .
C20 C21 C22 C23 0.4(4) .
C21 C22 C23 C24 -1.9(4) .
C1 N4 C24 C23 -19.4(4) .
Ni1 N4 C24 C23 162.3(2) .
C1 N4 C24 C19 165.8(2) .
Ni1 N4 C24 C19 -12.5(3) .
C22 C23 C24 N4 -172.7(2) .
C22 C23 C24 C19 2.2(4) .
C20 C19 C24 N4 174.0(2) .
C17 C19 C24 N4 -10.0(4) .
C20 C19 C24 C23 -1.0(4) .
C17 C19 C24 C23 175.1(2) .
O7 Fe1 O9 C25 -77(2) .
O6 Fe1 O9 C25 3(5) 2_655
O8 Fe1 O9 C25 -165(2) .
O9' Fe1 O9 C25 139(3) .
O2 Fe1 O9 C25 7(2) .
O1 Fe1 O9 C25 83(2) .
O9 Fe1 O9' C25' -89.4(11) .
O7 Fe1 O9' C25' -125.5(6) .
O6 Fe1 O9' C25' 75.6(7) 2_655
O8 Fe1 O9' C25' 147.0(6) .
O2 Fe1 O9' C25' -39.5(6) .
O1 Fe1 O9' C25' 35.6(6) .
