#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/97/7209768.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_7209768
loop_
_publ_author_name
'Li, Xiao-Zeng'
'Hao, Peng-Peng'
'Wang, Dan'
'Zhu, Li-Na'
_publ_section_title
;
 Analysis of factors governing the formation of single-stranded helical
 coordination polymers from a macrocyclic metalloligand and Ca2+, Mn2+,
 Fe2+, Co2+, Ni2+, Cu2+, Zn2+ and Pb2+
;
_journal_issue                   15
_journal_name_full               CrystEngComm
_journal_page_first              2800
_journal_paper_doi               10.1039/c3ce40124c
_journal_volume                  15
_journal_year                    2013
_chemical_formula_sum            'C24 H24 Mn N4 Ni O12'
_chemical_formula_weight         674.10
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 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                 128.93(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.90(2)
_cell_length_b                   8.875(11)
_cell_length_c                   24.97(2)
_cell_measurement_temperature    293(2)
_cell_volume                     2741(6)
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_collection       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1004
_diffrn_reflns_av_sigmaI/netI    0.0705
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            22349
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         3.11
_exptl_absorpt_coefficient_mu    1.218
_exptl_absorpt_correction_T_max  0.7927
_exptl_absorpt_correction_T_min  0.7927
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            Red
_exptl_crystal_density_diffrn    1.633
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             1356
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.003
_refine_diff_density_min         -0.798
_refine_diff_density_rms         0.108
_refine_ls_extinction_coef       0.0030(15)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.064
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     426
_refine_ls_number_reflns         4830
_refine_ls_number_restraints     48
_refine_ls_restrained_S_all      1.081
_refine_ls_R_factor_all          0.1275
_refine_ls_R_factor_gt           0.0894
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1561P)²+5.6518P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2367
_refine_ls_wR_factor_ref         0.2940
_reflns_number_gt                3049
_reflns_number_total             4830
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3ce40124c.txt
_cod_data_source_block           Mn
_cod_original_cell_volume        2741(5)
_cod_original_sg_symbol_H-M      P21/c
_cod_original_formula_sum        'C24 H24 N4 Mn Ni O12'
_cod_database_code               7209768
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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 0.91520(7) 0.44230(11) 0.10807(5) 0.0600(4) Uani 1 1 d . A .
Mn1 Mn 1.34021(11) 0.5094(2) 0.28831(8) 0.0902(6) Uani 1 1 d . . .
C1 C 0.9924(6) 0.6437(9) 0.0538(4) 0.066(2) Uani 1 1 d . A .
C2 C 1.0731(7) 0.6917(11) 0.0503(4) 0.075(2) Uani 1 1 d . . .
H2 H 1.1441 0.6611 0.0843 0.090 Uiso 1 1 calc R . .
C3 C 1.0494(9) 0.7834(12) -0.0025(5) 0.090(3) Uani 1 1 d . . .
H3 H 1.1040 0.8155 -0.0035 0.109 Uiso 1 1 calc R . .
C4 C 0.9428(10) 0.8268(13) -0.0540(6) 0.097(3) Uani 1 1 d . . .
H4 H 0.9265 0.8898 -0.0892 0.116 Uiso 1 1 calc R . .
C5 C 0.8629(9) 0.7784(12) -0.0534(5) 0.091(3) Uani 1 1 d . . .
H5 H 0.7920 0.8059 -0.0894 0.109 Uiso 1 1 calc R . .
C6 C 0.8834(7) 0.6874(10) 0.0003(5) 0.079(2) Uani 1 1 d . . .
C7 C 0.7945(7) 0.6552(11) 0.0004(6) 0.089(3) Uani 1 1 d . A .
C8 C 0.6826(13) 0.719(2) -0.0612(9) 0.140(5) Uani 1 1 d U . .
C9 C 0.7225(6) 0.5717(9) 0.0575(5) 0.080(3) Uani 1 1 d . A .
C10 C 0.6482(7) 0.6866(12) 0.0383(6) 0.100(3) Uani 1 1 d U . .
H10 H 0.6447 0.7719 0.0153 0.119 Uiso 1 1 calc R . .
C11 C 0.5798(8) 0.6696(14) 0.0546(7) 0.110(4) Uani 1 1 d U . .
H11 H 0.5265 0.7412 0.0397 0.132 Uiso 1 1 calc R . .
C12 C 0.5898(8) 0.5483(11) 0.0924(7) 0.096(3) Uani 1 1 d . . .
H12 H 0.5456 0.5416 0.1047 0.115 Uiso 1 1 calc R . .
C13 C 0.6639(6) 0.4372(11) 0.1122(5) 0.080(3) Uani 1 1 d . . .
H13 H 0.6707 0.3556 0.1380 0.096 Uiso 1 1 calc R . .
C14 C 0.7289(6) 0.4488(9) 0.0930(5) 0.070(2) Uani 1 1 d . A .
C15 C 0.8189(6) 0.2043(9) 0.1305(4) 0.0621(19) Uani 1 1 d . A .
C16 C 0.7248(6) 0.1286(10) 0.1231(5) 0.070(2) Uani 1 1 d . . .
C17 C 0.9110(6) 0.1070(9) 0.1566(4) 0.0612(18) Uani 1 1 d . . .
C18 C 0.8972(7) -0.0506(10) 0.1619(5) 0.071(2) Uani 1 1 d . . .
H18 H 0.8300 -0.0853 0.1463 0.085 Uiso 1 1 calc R . .
C19 C 0.9795(7) -0.1504(10) 0.1890(4) 0.072(2) Uani 1 1 d . . .
H19 H 0.9678 -0.2528 0.1898 0.086 Uiso 1 1 calc R . .
C20 C 1.0811(7) -0.0981(11) 0.2154(5) 0.078(2) Uani 1 1 d . . .
H20 H 1.1384 -0.1656 0.2354 0.094 Uiso 1 1 calc R . .
C21 C 1.0982(7) 0.0526(9) 0.2125(4) 0.065(2) Uani 1 1 d . . .
H21 H 1.1674 0.0854 0.2316 0.078 Uiso 1 1 calc R . .
C22 C 1.0147(6) 0.1571(9) 0.1819(4) 0.0586(17) Uani 1 1 d . . .
C23 C 1.1216(6) 0.3732(9) 0.1990(4) 0.0597(18) Uani 1 1 d . . .
C24 C 1.1150(6) 0.5140(9) 0.1611(4) 0.0640(19) Uani 1 1 d . A .
N1 N 1.0159(5) 0.5429(7) 0.1054(3) 0.0607(16) Uani 1 1 d . . .
N2 N 1.0266(4) 0.3080(7) 0.1689(3) 0.0567(14) Uani 1 1 d . A .
N3 N 0.8154(4) 0.3450(7) 0.1133(3) 0.0597(15) Uani 1 1 d . . .
N4 N 0.8032(5) 0.5765(7) 0.0481(4) 0.0728(19) Uani 1 1 d . . .
O1 O 1.2135(4) 0.3320(7) 0.2509(3) 0.0777(16) Uani 1 1 d . A .
O2 O 1.2021(4) 0.5774(7) 0.1846(3) 0.0783(17) Uani 1 1 d . A .
O3 O 0.677(2) 0.879(3) -0.0393(12) 0.080(6) Uani 0.354(18) 1 d P A 1
O4 O 0.6071(12) 0.643(2) -0.0918(9) 0.067(5) Uani 0.354(18) 1 d P A 1
O7 O 1.4118(13) 0.749(2) 0.2965(10) 0.071(6) Uani 0.354(18) 1 d PD A 1
H7A H 1.3697 0.8205 0.2710 0.086 Uiso 0.354(18) 1 d PRD A 1
H7B H 1.4797 0.7632 0.3247 0.086 Uiso 0.354(18) 1 d PRD A 1
O13 O 0.373(4) 1.043(14) 0.234(3) 0.49(10) Uani 0.354(18) 1 d P A 1
O12 O 0.384(2) 0.800(3) 0.1845(14) 0.127(10) Uani 0.354(18) 1 d PU A 1
O3' O 0.6541(13) 0.831(3) -0.0822(12) 0.148(9) Uani 0.646(18) 1 d P A 2
O4' O 0.6418(13) 0.586(3) -0.1145(8) 0.144(8) Uani 0.646(18) 1 d P A 2
O7' O 1.4298(16) 0.672(3) 0.2919(11) 0.153(8) Uani 0.646(18) 1 d PDU A 2
H7C H 1.4184 0.7638 0.2951 0.184 Uiso 0.646(18) 1 d PRD A 2
H7D H 1.4803 0.6486 0.2906 0.184 Uiso 0.646(18) 1 d PRD A 2
O13' O 0.314(3) 0.951(5) 0.196(2) 0.33(2) Uani 0.646(18) 1 d P A 2
O12' O 0.370(2) 0.699(4) 0.118(2) 0.30(2) Uani 0.646(18) 1 d P A 2
O5 O 0.6459(5) 0.0891(7) 0.0643(3) 0.0806(17) Uani 1 1 d . . .
O6 O 0.7426(4) 0.1157(7) 0.1793(3) 0.0770(16) Uani 1 1 d . . .
O8 O 1.4719(6) 0.4795(12) 0.3965(4) 0.126(3) Uani 1 1 d D A .
O9 O 1.4138(8) 0.384(2) 0.2553(7) 0.219(7) Uani 1 1 d D A .
H9A H 1.4549 0.4274 0.2491 0.263 Uiso 1 1 d RD . .
H9B H 1.4018 0.2903 0.2480 0.263 Uiso 1 1 d RD . .
O14 O 0.6915(14) 0.116(2) 0.9693(10) 0.250(7) Uani 1 1 d U . .
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'
Mn Mn 0.3368 0.7283 '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'
Ni Ni 0.3393 1.1124 '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'
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
N4 Ni1 N2 179.1(3) . .
N4 Ni1 N1 94.2(3) . .
N2 Ni1 N1 86.5(3) . .
N4 Ni1 N3 85.8(3) . .
N2 Ni1 N3 93.5(3) . .
N1 Ni1 N3 178.1(3) . .
O7' Mn1 O9 80.9(9) . .
O7' Mn1 O6 104.8(8) . 2_755
O9 Mn1 O6 174.2(5) . 2_755
O7' Mn1 O8 85.9(7) . .
O9 Mn1 O8 94.9(4) . .
O6 Mn1 O8 85.7(3) 2_755 .
O7' Mn1 O2 90.6(7) . .
O9 Mn1 O2 94.2(4) . .
O6 Mn1 O2 85.8(3) 2_755 .
O8 Mn1 O2 169.7(3) . .
O7' Mn1 O1 163.1(7) . .
O9 Mn1 O1 92.4(5) . .
O6 Mn1 O1 82.1(2) 2_755 .
O8 Mn1 O1 110.2(3) . .
O2 Mn1 O1 74.3(2) . .
O7' Mn1 O7 18.1(9) . .
O9 Mn1 O7 98.7(8) . .
O6 Mn1 O7 87.1(6) 2_755 .
O8 Mn1 O7 88.1(5) . .
O2 Mn1 O7 85.7(4) . .
O1 Mn1 O7 157.8(4) . .
C2 C1 N1 121.3(7) . .
C2 C1 C6 118.7(8) . .
N1 C1 C6 119.8(7) . .
C3 C2 C1 121.6(9) . .
C3 C2 H2 119.2 . .
C1 C2 H2 119.2 . .
C2 C3 C4 119.2(10) . .
C2 C3 H3 120.4 . .
C4 C3 H3 120.4 . .
C5 C4 C3 120.6(10) . .
C5 C4 H4 119.7 . .
C3 C4 H4 119.7 . .
C4 C5 C6 122.2(10) . .
C4 C5 H5 118.9 . .
C6 C5 H5 118.9 . .
C5 C6 C1 117.6(9) . .
C5 C6 C7 118.1(9) . .
C1 C6 C7 124.1(9) . .
N4 C7 C6 124.2(8) . .
N4 C7 C8 119.6(9) . .
C6 C7 C8 116.2(10) . .
O3' C8 O4 106(2) . .
O3' C8 O3 39.4(15) . .
O4 C8 O3 120.4(19) . .
O3' C8 C7 133(2) . .
O4 C8 C7 120.9(15) . .
O3 C8 C7 105.6(16) . .
O3' C8 O4' 117(2) . .
O4 C8 O4' 45.6(11) . .
O3 C8 O4' 154.2(16) . .
C7 C8 O4' 99.8(13) . .
C14 C9 C10 120.4(9) . .
C14 C9 N4 114.7(7) . .
C10 C9 N4 124.7(9) . .
C11 C10 C9 117.9(10) . .
C11 C10 H10 121.0 . .
C9 C10 H10 121.0 . .
C12 C11 C10 120.8(9) . .
C12 C11 H11 119.6 . .
C10 C11 H11 119.6 . .
C13 C12 C11 121.0(10) . .
C13 C12 H12 119.5 . .
C11 C12 H12 119.5 . .
C12 C13 C14 118.6(10) . .
C12 C13 H13 120.7 . .
C14 C13 H13 120.7 . .
C9 C14 C13 121.0(8) . .
C9 C14 N3 113.5(8) . .
C13 C14 N3 125.3(8) . .
N3 C15 C17 122.5(7) . .
N3 C15 C16 122.5(6) . .
C17 C15 C16 115.0(7) . .
O5 C16 O6 130.6(8) . .
O5 C16 C15 116.6(8) . .
O6 C16 C15 112.8(7) . .
C22 C17 C18 117.9(7) . .
C22 C17 C15 125.1(7) . .
C18 C17 C15 116.8(7) . .
C19 C18 C17 121.8(8) . .
C19 C18 H18 119.1 . .
C17 C18 H18 119.1 . .
C18 C19 C20 119.3(8) . .
C18 C19 H19 120.4 . .
C20 C19 H19 120.4 . .
C21 C20 C19 120.6(8) . .
C21 C20 H20 119.7 . .
C19 C20 H20 119.7 . .
C20 C21 C22 121.8(8) . .
C20 C21 H21 119.1 . .
C22 C21 H21 119.1 . .
C21 C22 C17 118.5(7) . .
C21 C22 N2 122.6(7) . .
C17 C22 N2 118.6(6) . .
O1 C23 N2 129.3(8) . .
O1 C23 C24 117.4(7) . .
N2 C23 C24 113.3(6) . .
O2 C24 N1 130.4(8) . .
O2 C24 C23 116.9(7) . .
N1 C24 C23 112.6(7) . .
C24 N1 C1 122.9(7) . .
C24 N1 Ni1 110.6(5) . .
C1 N1 Ni1 126.4(5) . .
C23 N2 C22 123.4(6) . .
C23 N2 Ni1 110.1(5) . .
C22 N2 Ni1 126.5(5) . .
C15 N3 C14 123.6(7) . .
C15 N3 Ni1 126.5(5) . .
C14 N3 Ni1 109.8(5) . .
C7 N4 C9 124.5(7) . .
C7 N4 Ni1 124.8(6) . .
C9 N4 Ni1 110.4(6) . .
C23 O1 Mn1 112.6(5) . .
C24 O2 Mn1 115.3(5) . .
Mn1 O7 H7A 120.0 . .
Mn1 O7 H7B 120.0 . .
H7A O7 H7B 120.0 . .
Mn1 O7 H7C 158.1 . .
H7A O7 H7C 66.1 . .
H7B O7 H7C 58.3 . .
Mn1 O7' H7B 138.7 . .
Mn1 O7' H7C 120.7 . .
H7B O7' H7C 45.5 . .
Mn1 O7' H7D 119.2 . .
H7B O7' H7D 87.0 . .
H7C O7' H7D 120.0 . .
C16 O6 Mn1 134.6(6) . 2_745
Mn1 O9 H9A 120.6 . .
Mn1 O9 H9B 119.4 . .
H9A O9 H9B 120.0 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ni1 N4 1.865(7) .
Ni1 N2 1.866(6) .
Ni1 N1 1.871(7) .
Ni1 N3 1.882(6) .
Mn1 O7' 1.989(19) .
Mn1 O9 2.120(11) .
Mn1 O6 2.149(6) 2_755
Mn1 O8 2.155(8) .
Mn1 O2 2.178(6) .
Mn1 O1 2.246(7) .
Mn1 O7 2.358(19) .
C1 C2 1.405(11) .
C1 N1 1.412(10) .
C1 C6 1.425(11) .
C2 C3 1.385(13) .
C2 H2 0.9300 .
C3 C4 1.391(15) .
C3 H3 0.9300 .
C4 C5 1.351(14) .
C4 H4 0.9300 .
C5 C6 1.417(14) .
C5 H5 0.9300 .
C6 C7 1.442(13) .
C7 N4 1.313(12) .
C7 C8 1.553(17) .
C8 O3' 1.083(19) .
C8 O4 1.15(2) .
C8 O3 1.54(3) .
C8 O4' 1.58(3) .
C9 C14 1.369(13) .
C9 C10 1.398(12) .
C9 N4 1.442(12) .
C10 C11 1.389(14) .
C10 H10 0.9300 .
C11 C12 1.373(17) .
C11 H11 0.9300 .
C12 C13 1.368(12) .
C12 H12 0.9300 .
C13 C14 1.389(12) .
C13 H13 0.9300 .
C14 N3 1.456(9) .
C15 N3 1.310(10) .
C15 C17 1.454(10) .
C15 C16 1.543(11) .
C16 O5 1.239(10) .
C16 O6 1.249(10) .
C17 C22 1.417(10) .
C17 C18 1.435(12) .
C18 C19 1.357(12) .
C18 H18 0.9300 .
C19 C20 1.387(12) .
C19 H19 0.9300 .
C20 C21 1.376(12) .
C20 H20 0.9300 .
C21 C22 1.390(10) .
C21 H21 0.9300 .
C22 N2 1.418(10) .
C23 O1 1.253(9) .
C23 N2 1.325(9) .
C23 C24 1.532(12) .
C24 O2 1.247(9) .
C24 N1 1.315(10) .
O7 H7A 0.8500 .
O7 H7B 0.8499 .
O7 H7C 0.1859 .
O7' H7B 1.0675 .
O7' H7C 0.8500 .
O7' H7D 0.8501 .
O6 Mn1 2.149(6) 2_745
O9 H9A 0.8500 .
O9 H9B 0.8501 .
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
_geom_torsion_site_symmetry_4
N1 C1 C2 C3 176.1(8) . .
C6 C1 C2 C3 2.0(14) . .
C1 C2 C3 C4 -1.2(15) . .
C2 C3 C4 C5 -1.1(16) . .
C3 C4 C5 C6 2.6(17) . .
C4 C5 C6 C1 -1.7(15) . .
C4 C5 C6 C7 173.3(10) . .
C2 C1 C6 C5 -0.6(13) . .
N1 C1 C6 C5 -174.7(8) . .
C2 C1 C6 C7 -175.2(9) . .
N1 C1 C6 C7 10.6(14) . .
C5 C6 C7 N4 -177.8(9) . .
C1 C6 C7 N4 -3.1(16) . .
C5 C6 C7 C8 2.6(16) . .
C1 C6 C7 C8 177.2(11) . .
N4 C7 C8 O3' 125(3) . .
C6 C7 C8 O3' -55(3) . .
N4 C7 C8 O4 -49(3) . .
C6 C7 C8 O4 130.6(19) . .
N4 C7 C8 O3 92.2(15) . .
C6 C7 C8 O3 -88.2(16) . .
N4 C7 C8 O4' -92.6(14) . .
C6 C7 C8 O4' 87.1(13) . .
C14 C9 C10 C11 -1.8(15) . .
N4 C9 C10 C11 -176.0(10) . .
C9 C10 C11 C12 4.2(17) . .
C10 C11 C12 C13 -3.2(18) . .
C11 C12 C13 C14 -0.4(16) . .
C10 C9 C14 C13 -1.6(14) . .
N4 C9 C14 C13 173.0(8) . .
C10 C9 C14 N3 -175.8(8) . .
N4 C9 C14 N3 -1.1(11) . .
C12 C13 C14 C9 2.8(14) . .
C12 C13 C14 N3 176.2(9) . .
N3 C15 C16 O5 77.6(10) . .
C17 C15 C16 O5 -101.2(9) . .
N3 C15 C16 O6 -103.4(9) . .
C17 C15 C16 O6 77.8(9) . .
N3 C15 C17 C22 15.9(13) . .
C16 C15 C17 C22 -165.3(7) . .
N3 C15 C17 C18 -169.2(7) . .
C16 C15 C17 C18 9.6(10) . .
C22 C17 C18 C19 -1.1(12) . .
C15 C17 C18 C19 -176.4(8) . .
C17 C18 C19 C20 3.2(13) . .
C18 C19 C20 C21 -1.9(13) . .
C19 C20 C21 C22 -1.5(13) . .
C20 C21 C22 C17 3.5(12) . .
C20 C21 C22 N2 -170.1(8) . .
C18 C17 C22 C21 -2.2(11) . .
C15 C17 C22 C21 172.7(8) . .
C18 C17 C22 N2 171.7(7) . .
C15 C17 C22 N2 -13.5(11) . .
O1 C23 C24 O2 0.2(11) . .
N2 C23 C24 O2 -176.7(7) . .
O1 C23 C24 N1 176.5(7) . .
N2 C23 C24 N1 -0.4(9) . .
O2 C24 N1 C1 10.8(14) . .
C23 C24 N1 C1 -165.0(7) . .
O2 C24 N1 Ni1 -165.8(8) . .
C23 C24 N1 Ni1 18.4(8) . .
C2 C1 N1 C24 15.6(12) . .
C6 C1 N1 C24 -170.4(8) . .
C2 C1 N1 Ni1 -168.3(6) . .
C6 C1 N1 Ni1 5.7(11) . .
N4 Ni1 N1 C24 156.0(6) . .
N2 Ni1 N1 C24 -23.4(6) . .
N3 Ni1 N1 C24 65(8) . .
N4 Ni1 N1 C1 -20.5(7) . .
N2 Ni1 N1 C1 160.2(7) . .
N3 Ni1 N1 C1 -112(8) . .
O1 C23 N2 C22 -15.0(12) . .
C24 C23 N2 C22 161.5(6) . .
O1 C23 N2 Ni1 165.7(7) . .
C24 C23 N2 Ni1 -17.8(7) . .
C21 C22 N2 C23 -17.4(11) . .
C17 C22 N2 C23 169.0(7) . .
C21 C22 N2 Ni1 161.8(6) . .
C17 C22 N2 Ni1 -11.8(10) . .
N4 Ni1 N2 C23 -114(19) . .
N1 Ni1 N2 C23 22.9(5) . .
N3 Ni1 N2 C23 -155.2(5) . .
N4 Ni1 N2 C22 67(19) . .
N1 Ni1 N2 C22 -156.4(6) . .
N3 Ni1 N2 C22 25.5(6) . .
C17 C15 N3 C14 -174.2(7) . .
C16 C15 N3 C14 7.0(12) . .
C17 C15 N3 Ni1 7.9(11) . .
C16 C15 N3 Ni1 -170.9(6) . .
C9 C14 N3 C15 -160.8(8) . .
C13 C14 N3 C15 25.3(12) . .
C9 C14 N3 Ni1 17.4(9) . .
C13 C14 N3 Ni1 -156.5(7) . .
N4 Ni1 N3 C15 157.0(7) . .
N2 Ni1 N3 C15 -23.6(7) . .
N1 Ni1 N3 C15 -112(8) . .
N4 Ni1 N3 C14 -21.2(5) . .
N2 Ni1 N3 C14 158.2(5) . .
N1 Ni1 N3 C14 70(8) . .
C6 C7 N4 C9 165.4(9) . .
C8 C7 N4 C9 -14.9(16) . .
C6 C7 N4 Ni1 -20.5(14) . .
C8 C7 N4 Ni1 159.2(10) . .
C14 C9 N4 C7 159.0(9) . .
C10 C9 N4 C7 -26.6(15) . .
C14 C9 N4 Ni1 -15.8(10) . .
C10 C9 N4 Ni1 158.6(9) . .
N2 Ni1 N4 C7 165(18) . .
N1 Ni1 N4 C7 27.7(8) . .
N3 Ni1 N4 C7 -154.2(8) . .
N2 Ni1 N4 C9 -20(19) . .
N1 Ni1 N4 C9 -157.5(6) . .
N3 Ni1 N4 C9 20.6(6) . .
N2 C23 O1 Mn1 -170.0(6) . .
C24 C23 O1 Mn1 13.7(8) . .
O7' Mn1 O1 C23 -43(3) . .
O9 Mn1 O1 C23 -109.3(7) . .
O6 Mn1 O1 C23 72.3(5) 2_755 .
O8 Mn1 O1 C23 154.6(5) . .
O2 Mn1 O1 C23 -15.6(5) . .
O7 Mn1 O1 C23 10.8(18) . .
N1 C24 O2 Mn1 169.8(7) . .
C23 C24 O2 Mn1 -14.6(9) . .
O7' Mn1 O2 C24 -171.7(9) . .
O9 Mn1 O2 C24 107.4(7) . .
O6 Mn1 O2 C24 -66.9(6) 2_755 .
O8 Mn1 O2 C24 -101.2(16) . .
O1 Mn1 O2 C24 16.1(6) . .
O7 Mn1 O2 C24 -154.2(8) . .
O5 C16 O6 Mn1 4.9(15) . 2_745
C15 C16 O6 Mn1 -174.0(5) . 2_745
