#------------------------------------------------------------------------------
#$Date: 2016-03-25 09:44:41 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179732 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/28/7002820.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_7002820
loop_
_publ_author_name
'Berggren, Gustav'
'Thapper, Anders'
'Huang, Ping'
'Kurz, Philipp'
'Eriksson, Lars'
'Styring, Stenbjörn'
'Anderlund, Magnus F.'
_publ_section_title
;
 Two tetranuclear Mn-complexes as biomimetic models of the oxygen
 evolving complex in Photosystem II. A synthesis, characterisation and
 reactivity study
;
_journal_issue                   45
_journal_name_full               'Dalton Transactions'
_journal_page_first              10044
_journal_page_last               10054
_journal_paper_doi               10.1039/b906175d
_journal_year                    2009
_chemical_formula_moiety         'C92 H100 Mn4 N16 O8, 2(C2 H3 N), 4(Cl O4)'
_chemical_formula_sum            'C96 H106 Cl4 Mn4 N18 O24'
_chemical_formula_weight         2257.55
_chemical_name_systematic
;
?
;
_space_group_IT_number           9
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 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                 101.043(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.6096(7)
_cell_length_b                   24.6816(15)
_cell_length_c                   28.0200(13)
_cell_measurement_reflns_used    2573
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      24.95
_cell_measurement_theta_min      2.65
_cell_volume                     10595.4(10)
_computing_cell_refinement       'Cell (Stoe, 1997)'
_computing_data_collection       'Expose (Stoe, 1997)'
_computing_data_reduction        'Integrate (Stoe, 1997)'
_computing_molecular_graphics    'Diamond (Bergerhoff, 1996)'
_computing_publication_material  'PLATON (Spek,2003)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 6.8
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'STOE IPDS'
_diffrn_measurement_method       'φ scan'
_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  0.0973
_diffrn_reflns_av_sigmaI/netI    0.3094
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            31743
_diffrn_reflns_theta_full        26.37
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         2.22
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.645
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colour_less
_exptl_crystal_density_diffrn    1.415
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             4672
_exptl_crystal_preparation       'acetonitrile : diethylether'
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.431
_refine_diff_density_min         -0.283
_refine_diff_density_rms         0.080
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.29(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.806
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1170
_refine_ls_number_reflns         19069
_refine_ls_number_restraints     500
_refine_ls_restrained_S_all      0.804
_refine_ls_R_factor_all          0.2124
_refine_ls_R_factor_gt           0.0675
_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)+(0.0719P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1427
_refine_ls_wR_factor_ref         0.1761
_reflns_number_gt                6931
_reflns_number_total             19069
_reflns_threshold_expression     I>2σ1(I)
_cod_data_source_file            b906175d.txt
_cod_data_source_block           gb294
_cod_original_cell_volume        10595.4(9)
_cod_original_sg_symbol_H-M      'C c'
_cod_database_code               7002820
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'x, -y, z+1/2'
'x+1/2, y+1/2, 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
Cl1 Cl -0.0340(2) 0.92078(15) -0.18866(14) 0.0914(12) Uani 1 1 d DU . .
O11 O -0.0343(8) 0.9642(4) -0.2202(4) 0.151(4) Uani 1 1 d DU . .
O12 O -0.0603(9) 0.8768(4) -0.2140(5) 0.189(5) Uani 1 1 d DU . .
O13 O 0.0445(7) 0.9131(6) -0.1637(5) 0.212(6) Uani 1 1 d DU . .
O14 O -0.0905(10) 0.9319(8) -0.1595(5) 0.269(8) Uani 1 1 d DU . .
Cl2 Cl 0.0242(3) 0.81292(15) 0.18393(15) 0.0938(12) Uani 1 1 d DU . .
O21 O 0.0300(12) 0.8554(6) 0.2130(6) 0.268(8) Uani 1 1 d DU . .
O22 O -0.0196(11) 0.7755(5) 0.2017(7) 0.294(10) Uani 1 1 d DU . .
O23 O -0.0226(13) 0.8268(9) 0.1394(5) 0.317(11) Uani 1 1 d DU . .
O24 O 0.0997(8) 0.7966(6) 0.1788(7) 0.265(9) Uani 1 1 d DU . .
Cl3 Cl 0.0263(2) 0.55327(15) 0.33594(12) 0.0908(11) Uani 1 1 d DU . .
O31 O 0.0317(9) 0.5990(4) 0.3158(7) 0.238(8) Uani 1 1 d DU . .
O32 O 0.0967(9) 0.5340(9) 0.3629(5) 0.316(10) Uani 1 1 d DU . .
O33 O -0.0431(10) 0.5492(9) 0.3569(7) 0.347(12) Uani 1 1 d DU . .
O34 O 0.0039(16) 0.5179(6) 0.2974(6) 0.347(12) Uani 1 1 d DU . .
Cl4 Cl 0.0330(3) 0.32269(14) 0.16430(18) 0.1151(16) Uani 1 1 d DU . .
O41 O 0.0056(13) 0.3629(5) 0.1915(4) 0.251(8) Uani 1 1 d DU . .
O42 O 0.1095(8) 0.3383(9) 0.1574(6) 0.322(10) Uani 1 1 d DU . .
O43 O -0.0177(6) 0.3199(3) 0.1197(3) 0.119(3) Uani 1 1 d DU . .
O44 O 0.0323(10) 0.2795(4) 0.1908(5) 0.250(8) Uani 1 1 d DU . .
Mn1 Mn 0.00058(9) 0.58883(5) 0.09979(5) 0.0384(4) Uani 1 1 d U . .
N101 N 0.0016(5) 0.5092(3) 0.1436(3) 0.0465(11) Uani 1 1 d U . .
C102 C 0.0922(7) 0.5075(4) 0.1730(4) 0.050(2) Uani 1 1 d U . .
H10A H 0.0951 0.4790 0.1972 0.061 Uiso 1 1 calc R . .
H10B H 0.1322 0.4980 0.1518 0.061 Uiso 1 1 calc R . .
C103 C 0.1204(4) 0.5564(2) 0.1970(2) 0.046(2) Uani 1 1 d GU . .
C104 C 0.1806(5) 0.5598(3) 0.2404(2) 0.076(3) Uani 1 1 d GU . .
H104 H 0.2032 0.5284 0.2563 0.091 Uiso 1 1 calc R . .
C105 C 0.2071(5) 0.6102(3) 0.2600(2) 0.081(4) Uani 1 1 d GU . .
H105 H 0.2474 0.6125 0.2890 0.097 Uiso 1 1 calc R . .
C106 C 0.1733(5) 0.6572(3) 0.2362(3) 0.068(3) Uani 1 1 d GU . .
H106 H 0.1910 0.6909 0.2493 0.081 Uiso 1 1 calc R . .
C107 C 0.1131(4) 0.6537(2) 0.1928(2) 0.051(2) Uani 1 1 d GU . .
H107 H 0.0905 0.6852 0.1769 0.061 Uiso 1 1 calc R . .
N108 N 0.0866(4) 0.6034(2) 0.17320(18) 0.0447(16) Uani 1 1 d GU . .
C109 C -0.0118(8) 0.4648(4) 0.1084(4) 0.061(2) Uani 1 1 d U . .
H10C H -0.0735 0.4621 0.0946 0.074 Uiso 1 1 calc R . .
H10D H 0.0060 0.4311 0.1253 0.074 Uiso 1 1 calc R . .
C110 C 0.0368(4) 0.4713(2) 0.0687(2) 0.055(3) Uani 1 1 d GU . .
C111 C 0.0584(5) 0.42846(18) 0.0411(3) 0.072(3) Uani 1 1 d GU . .
H111 H 0.0516 0.3930 0.0508 0.087 Uiso 1 1 calc R . .
C112 C 0.0900(5) 0.4387(2) -0.0012(2) 0.067(3) Uani 1 1 d GU . .
H112 H 0.1044 0.4100 -0.0197 0.080 Uiso 1 1 calc R . .
C113 C 0.1001(5) 0.4917(3) -0.0158(2) 0.061(3) Uani 1 1 d GU . .
H113 H 0.1212 0.4986 -0.0440 0.073 Uiso 1 1 calc R . .
C114 C 0.0785(5) 0.5346(2) 0.0119(2) 0.054(2) Uani 1 1 d GU . .
H114 H 0.0853 0.5701 0.0021 0.065 Uiso 1 1 calc R . .
N115 N 0.0469(4) 0.5244(2) 0.0541(2) 0.0435(15) Uani 1 1 d GU . .
C116 C -0.0628(6) 0.5121(4) 0.1728(4) 0.052(2) Uani 1 1 d U . .
H11A H -0.0381 0.5298 0.2033 0.062 Uiso 1 1 calc R . .
H11B H -0.0792 0.4756 0.1803 0.062 Uiso 1 1 calc R . .
C117 C -0.1467(6) 0.5437(4) 0.1479(3) 0.0418(18) Uani 1 1 d U . .
H11C H -0.1725 0.5262 0.1175 0.050 Uiso 1 1 calc R . .
H11D H -0.1894 0.5437 0.1689 0.050 Uiso 1 1 calc R . .
N118 N -0.1216(5) 0.6007(3) 0.1384(3) 0.0406(12) Uani 1 1 d U . .
C119 C -0.1086(7) 0.6334(4) 0.1851(3) 0.048(2) Uani 1 1 d U . .
H11E H -0.0609 0.6172 0.2080 0.058 Uiso 1 1 calc R . .
H11F H -0.0901 0.6696 0.1780 0.058 Uiso 1 1 calc R . .
C120 C -0.1827(4) 0.6388(3) 0.2094(2) 0.049(2) Uani 1 1 d GU . .
C121 C -0.2434(5) 0.6802(3) 0.1977(2) 0.073(3) Uani 1 1 d GU . .
H121 H -0.2359 0.7062 0.1748 0.088 Uiso 1 1 calc R . .
C122 C -0.3153(5) 0.6829(3) 0.2202(3) 0.090(4) Uani 1 1 d GU . .
H122 H -0.3559 0.7106 0.2123 0.107 Uiso 1 1 calc R . .
C123 C -0.3265(4) 0.6441(4) 0.2544(3) 0.106(5) Uani 1 1 d GU . .
H123 H -0.3746 0.6459 0.2695 0.128 Uiso 1 1 calc R . .
C124 C -0.2658(6) 0.6026(3) 0.2662(3) 0.088(4) Uani 1 1 d GU . .
H124 H -0.2734 0.5767 0.2891 0.105 Uiso 1 1 calc R . .
C125 C -0.1940(5) 0.6000(3) 0.2436(3) 0.078(3) Uani 1 1 d GU . .
H125 H -0.1534 0.5723 0.2515 0.093 Uiso 1 1 calc R . .
C126 C -0.1906(7) 0.6250(4) 0.1018(3) 0.046(2) Uani 1 1 d U . .
H12A H -0.1872 0.6642 0.1039 0.055 Uiso 1 1 calc R . .
H12B H -0.2474 0.6139 0.1075 0.055 Uiso 1 1 calc R . .
C127 C -0.1789(6) 0.6060(4) 0.0496(3) 0.036(2) Uiso 1 1 d U . .
O128 O -0.1166(4) 0.5846(3) 0.0440(2) 0.0424(13) Uani 1 1 d U . .
O129 O -0.2459(4) 0.6223(3) 0.0196(2) 0.0501(14) Uani 1 1 d U . .
Mn2 Mn 0.27925(9) 0.64604(6) 0.05570(5) 0.0392(4) Uani 1 1 d U . .
N201 N 0.3646(5) 0.6597(3) 0.1317(3) 0.0482(12) Uani 1 1 d U . .
C202 C 0.4571(7) 0.6510(4) 0.1292(4) 0.056(2) Uani 1 1 d U . .
H20A H 0.4939 0.6677 0.1572 0.067 Uiso 1 1 calc R . .
H20B H 0.4696 0.6125 0.1302 0.067 Uiso 1 1 calc R . .
C203 C 0.4770(4) 0.6744(3) 0.08440(19) 0.055(2) Uani 1 1 d GU . .
C204 C 0.5599(4) 0.6927(4) 0.0812(2) 0.079(4) Uani 1 1 d GU . .
H204 H 0.6036 0.6941 0.1089 0.095 Uiso 1 1 calc R . .
C205 C 0.5777(4) 0.7089(4) 0.0366(3) 0.108(5) Uani 1 1 d GU . .
H205 H 0.6332 0.7211 0.0344 0.129 Uiso 1 1 calc R . .
C206 C 0.5125(5) 0.7068(3) -0.0048(2) 0.072(3) Uani 1 1 d GU . .
H206 H 0.5244 0.7176 -0.0347 0.086 Uiso 1 1 calc R . .
C207 C 0.4296(4) 0.6885(3) -0.00163(19) 0.059(3) Uani 1 1 d GU . .
H207 H 0.3860 0.6871 -0.0293 0.070 Uiso 1 1 calc R . .
N208 N 0.4118(3) 0.6723(3) 0.0430(2) 0.0499(16) Uani 1 1 d GU . .
C209 C 0.3325(8) 0.6174(4) 0.1628(4) 0.059(2) Uani 1 1 d U . .
H20C H 0.3717 0.6158 0.1942 0.070 Uiso 1 1 calc R . .
H20D H 0.2751 0.6275 0.1683 0.070 Uiso 1 1 calc R . .
C210 C 0.3278(5) 0.5650(2) 0.1403(2) 0.057(3) Uani 1 1 d GU . .
C211 C 0.3395(6) 0.5166(3) 0.16612(19) 0.074(3) Uani 1 1 d GU . .
H211 H 0.3532 0.5171 0.1999 0.089 Uiso 1 1 calc R . .
C212 C 0.3308(6) 0.4674(2) 0.1414(3) 0.099(4) Uani 1 1 d GU . .
H212 H 0.3386 0.4351 0.1587 0.119 Uiso 1 1 calc R . .
C213 C 0.3103(6) 0.4667(2) 0.0909(3) 0.086(4) Uani 1 1 d GU . .
H213 H 0.3044 0.4338 0.0744 0.103 Uiso 1 1 calc R . .
C214 C 0.2986(5) 0.5151(3) 0.06511(19) 0.062(3) Uani 1 1 d GU . .
H214 H 0.2849 0.5146 0.0313 0.074 Uiso 1 1 calc R . .
N215 N 0.3074(4) 0.5642(2) 0.0898(2) 0.0525(16) Uani 1 1 d GU . .
C216 C 0.3490(6) 0.7147(4) 0.1463(4) 0.050(2) Uani 1 1 d U . .
H21A H 0.3880 0.7390 0.1335 0.061 Uiso 1 1 calc R . .
H21B H 0.3635 0.7170 0.1815 0.061 Uiso 1 1 calc R . .
C217 C 0.2571(6) 0.7339(4) 0.1297(3) 0.0420(18) Uani 1 1 d U . .
H21C H 0.2181 0.7117 0.1445 0.050 Uiso 1 1 calc R . .
H21D H 0.2521 0.7710 0.1404 0.050 Uiso 1 1 calc R . .
N218 N 0.2300(5) 0.7312(3) 0.0756(3) 0.0392(12) Uani 1 1 d U . .
C219 C 0.2657(6) 0.7758(3) 0.0502(4) 0.0466(19) Uani 1 1 d U . .
H21E H 0.2547 0.7678 0.0157 0.056 Uiso 1 1 calc R . .
H21F H 0.3285 0.7769 0.0614 0.056 Uiso 1 1 calc R . .
C220 C 0.2287(4) 0.8312(2) 0.0576(2) 0.045(2) Uani 1 1 d GU . .
C221 C 0.1561(4) 0.8506(3) 0.0255(2) 0.058(3) Uani 1 1 d GU . .
H221 H 0.1295 0.8293 -0.0006 0.070 Uiso 1 1 calc R . .
C222 C 0.1232(4) 0.9017(3) 0.0323(3) 0.079(3) Uani 1 1 d GU . .
H222 H 0.0746 0.9147 0.0108 0.095 Uiso 1 1 calc R . .
C223 C 0.1629(5) 0.9335(2) 0.0712(3) 0.092(4) Uani 1 1 d GU . .
H223 H 0.1409 0.9677 0.0758 0.110 Uiso 1 1 calc R . .
C224 C 0.2355(5) 0.9141(3) 0.1034(2) 0.075(3) Uani 1 1 d GU . .
H224 H 0.2621 0.9354 0.1294 0.090 Uiso 1 1 calc R . .
C225 C 0.2684(4) 0.8630(3) 0.0965(2) 0.067(3) Uani 1 1 d GU . .
H225 H 0.3170 0.8500 0.1180 0.081 Uiso 1 1 calc R . .
C226 C 0.1350(6) 0.7284(3) 0.0625(3) 0.0374(17) Uani 1 1 d U . .
H22A H 0.1166 0.7368 0.0282 0.045 Uiso 1 1 calc R . .
H22B H 0.1096 0.7552 0.0810 0.045 Uiso 1 1 calc R . .
C227 C 0.1026(7) 0.6731(4) 0.0726(3) 0.0335(18) Uani 1 1 d U . .
O228 O 0.1535(4) 0.6342(2) 0.0771(2) 0.0457(14) Uani 1 1 d U . .
O229 O 0.0253(4) 0.6686(3) 0.0782(2) 0.0456(13) Uani 1 1 d U . .
Mn3 Mn -0.27986(9) 0.60673(6) -0.05522(5) 0.0379(4) Uani 1 1 d U . .
N301 N -0.3657(5) 0.5906(3) -0.1303(3) 0.0442(11) Uani 1 1 d U . .
C302 C -0.4587(7) 0.5972(5) -0.1260(4) 0.061(2) Uani 1 1 d U . .
H30A H -0.4732 0.6354 -0.1283 0.073 Uiso 1 1 calc R . .
H30B H -0.4951 0.5790 -0.1533 0.073 Uiso 1 1 calc R . .
C303 C -0.4789(4) 0.5764(3) -0.08222(17) 0.045(2) Uani 1 1 d GU . .
C304 C -0.5602(4) 0.5564(3) -0.0777(2) 0.072(4) Uani 1 1 d GU . .
H304 H -0.6049 0.5541 -0.1048 0.086 Uiso 1 1 calc R . .
C305 C -0.5748(4) 0.5397(3) -0.0325(3) 0.091(4) Uani 1 1 d GU . .
H305 H -0.6292 0.5264 -0.0295 0.109 Uiso 1 1 calc R . .
C306 C -0.5081(5) 0.5431(3) 0.0081(2) 0.070(3) Uani 1 1 d GU . .
H306 H -0.5179 0.5320 0.0383 0.084 Uiso 1 1 calc R . .
C307 C -0.4268(4) 0.5631(3) 0.00355(18) 0.056(3) Uani 1 1 d GU . .
H307 H -0.3822 0.5653 0.0307 0.067 Uiso 1 1 calc R . .
N308 N -0.4122(3) 0.5797(2) -0.0416(2) 0.0401(14) Uani 1 1 d GU . .
C309 C -0.3431(8) 0.6306(4) -0.1635(4) 0.056(2) Uani 1 1 d U . .
H30C H -0.3865 0.6304 -0.1934 0.068 Uiso 1 1 calc R . .
H30D H -0.2870 0.6216 -0.1715 0.068 Uiso 1 1 calc R . .
C310 C -0.3389(5) 0.6854(2) -0.1411(2) 0.047(2) Uani 1 1 d GU . .
C311 C -0.3585(5) 0.7327(3) -0.16786(18) 0.084(4) Uani 1 1 d GU . .
H311 H -0.3758 0.7309 -0.2015 0.100 Uiso 1 1 calc R . .
C312 C -0.3522(6) 0.7826(2) -0.1444(3) 0.100(4) Uani 1 1 d GU . .
H312 H -0.3654 0.8142 -0.1624 0.120 Uiso 1 1 calc R . .
C313 C -0.3263(6) 0.7852(2) -0.0942(3) 0.078(3) Uani 1 1 d GU . .
H313 H -0.3221 0.8185 -0.0785 0.094 Uiso 1 1 calc R . .
C314 C -0.3067(4) 0.7379(3) -0.06736(18) 0.061(3) Uani 1 1 d GU . .
H314 H -0.2893 0.7396 -0.0337 0.073 Uiso 1 1 calc R . .
N315 N -0.3130(4) 0.6880(2) -0.0908(2) 0.0450(14) Uani 1 1 d GU . .
C316 C -0.3483(7) 0.5325(4) -0.1443(3) 0.051(2) Uani 1 1 d U . .
H31A H -0.3853 0.5081 -0.1302 0.062 Uiso 1 1 calc R . .
H31B H -0.3633 0.5288 -0.1794 0.062 Uiso 1 1 calc R . .
C317 C -0.2551(7) 0.5170(4) -0.1273(3) 0.052(2) Uani 1 1 d U . .
H31C H -0.2183 0.5401 -0.1429 0.062 Uiso 1 1 calc R . .
H31D H -0.2466 0.4799 -0.1368 0.062 Uiso 1 1 calc R . .
N318 N -0.2283(5) 0.5222(3) -0.0731(3) 0.0392(11) Uani 1 1 d U . .
C319 C -0.2609(6) 0.4751(3) -0.0467(4) 0.0451(19) Uani 1 1 d U . .
H31E H -0.2469 0.4828 -0.0121 0.054 Uiso 1 1 calc R . .
H31F H -0.3240 0.4742 -0.0559 0.054 Uiso 1 1 calc R . .
C320 C -0.2288(4) 0.42144(19) -0.0540(2) 0.0354(18) Uani 1 1 d GU . .
C321 C -0.1568(4) 0.4024(2) -0.0212(2) 0.050(2) Uani 1 1 d GU . .
H321 H -0.1306 0.4241 0.0046 0.060 Uiso 1 1 calc R . .
C322 C -0.1241(4) 0.3509(3) -0.0270(3) 0.076(3) Uani 1 1 d GU . .
H322 H -0.0760 0.3382 -0.0051 0.092 Uiso 1 1 calc R . .
C323 C -0.1633(5) 0.3185(2) -0.0657(3) 0.076(3) Uani 1 1 d GU . .
H323 H -0.1414 0.2841 -0.0696 0.091 Uiso 1 1 calc R . .
C324 C -0.2352(5) 0.3376(2) -0.0985(2) 0.084(4) Uani 1 1 d GU . .
H324 H -0.2615 0.3159 -0.1243 0.101 Uiso 1 1 calc R . .
C325 C -0.2680(4) 0.3890(3) -0.0927(2) 0.058(3) Uani 1 1 d GU . .
H325 H -0.3161 0.4018 -0.1146 0.069 Uiso 1 1 calc R . .
C326 C -0.1311(6) 0.5244(4) -0.0603(4) 0.047(2) Uani 1 1 d U . .
H32A H -0.1064 0.4959 -0.0774 0.057 Uiso 1 1 calc R . .
H32B H -0.1121 0.5185 -0.0256 0.057 Uiso 1 1 calc R . .
C327 C -0.0997(7) 0.5785(4) -0.0740(4) 0.038(2) Uani 1 1 d U . .
O328 O -0.1565(4) 0.6199(2) -0.0776(2) 0.0431(13) Uani 1 1 d U . .
O329 O -0.0241(4) 0.5843(3) -0.0800(2) 0.0470(13) Uani 1 1 d U . .
Mn4 Mn 0.00023(9) 0.66416(6) -0.10082(5) 0.0399(4) Uani 1 1 d U . .
N401 N -0.0082(6) 0.7433(3) -0.1442(3) 0.0522(13) Uani 1 1 d U . .
C402 C -0.0883(9) 0.7482(5) -0.1749(5) 0.072(3) Uani 1 1 d U . .
H40A H -0.0837 0.7750 -0.1997 0.087 Uiso 1 1 calc R . .
H40B H -0.1306 0.7614 -0.1564 0.087 Uiso 1 1 calc R . .
C403 C -0.1214(4) 0.6952(2) -0.1997(2) 0.062(3) Uani 1 1 d GU . .
C404 C -0.1808(4) 0.6893(3) -0.2432(2) 0.068(3) Uani 1 1 d GU . .
H404 H -0.2059 0.7198 -0.2598 0.081 Uiso 1 1 calc R . .
C405 C -0.2028(4) 0.6379(3) -0.26189(19) 0.070(3) Uani 1 1 d GU . .
H405 H -0.2425 0.6340 -0.2910 0.084 Uiso 1 1 calc R . .
C406 C -0.1653(5) 0.5924(2) -0.2371(2) 0.058(3) Uani 1 1 d GU . .
H406 H -0.1800 0.5580 -0.2495 0.070 Uiso 1 1 calc R . .
C407 C -0.1059(4) 0.5983(2) -0.1936(2) 0.052(2) Uani 1 1 d GU . .
H407 H -0.0809 0.5678 -0.1770 0.063 Uiso 1 1 calc R . .
N408 N -0.0840(3) 0.6497(2) -0.17491(18) 0.0415(15) Uani 1 1 d GU . .
C409 C 0.0070(8) 0.7893(4) -0.1102(4) 0.065(2) Uani 1 1 d U . .
H40C H 0.0692 0.7931 -0.0981 0.078 Uiso 1 1 calc R . .
H40D H -0.0136 0.8223 -0.1275 0.078 Uiso 1 1 calc R . .
C410 C -0.0373(4) 0.7824(2) -0.0690(2) 0.053(2) Uani 1 1 d GU . .
C411 C -0.0620(5) 0.8249(2) -0.0421(3) 0.079(3) Uani 1 1 d GU . .
H411 H -0.0551 0.8606 -0.0515 0.094 Uiso 1 1 calc R . .
C412 C -0.0970(5) 0.8142(3) -0.0011(3) 0.100(4) Uani 1 1 d GU . .
H412 H -0.1135 0.8427 0.0170 0.120 Uiso 1 1 calc R . .
C413 C -0.1073(5) 0.7610(3) 0.0131(2) 0.081(3) Uani 1 1 d GU . .
H413 H -0.1307 0.7539 0.0405 0.097 Uiso 1 1 calc R . .
C414 C -0.0826(4) 0.7185(2) -0.0139(2) 0.049(2) Uani 1 1 d GU . .
H414 H -0.0894 0.6829 -0.0044 0.058 Uiso 1 1 calc R . .
N415 N -0.0476(4) 0.7292(2) -0.0549(2) 0.0508(16) Uani 1 1 d GU . .
C416 C 0.0648(7) 0.7398(4) -0.1741(4) 0.061(2) Uani 1 1 d U . .
H41A H 0.0431 0.7207 -0.2043 0.073 Uiso 1 1 calc R . .
H41B H 0.0812 0.7761 -0.1821 0.073 Uiso 1 1 calc R . .
C417 C 0.1451(7) 0.7104(4) -0.1463(4) 0.054(2) Uani 1 1 d U . .
H41C H 0.1921 0.7123 -0.1644 0.065 Uiso 1 1 calc R . .
H41D H 0.1645 0.7275 -0.1149 0.065 Uiso 1 1 calc R . .
N418 N 0.1223(5) 0.6538(3) -0.1396(3) 0.0434(12) Uani 1 1 d U . .
C419 C 0.1127(7) 0.6219(4) -0.1846(3) 0.0438(19) Uani 1 1 d U . .
H41E H 0.0681 0.6387 -0.2089 0.053 Uiso 1 1 calc R . .
H41F H 0.0919 0.5861 -0.1782 0.053 Uiso 1 1 calc R . .
C420 C 0.1963(4) 0.6152(3) -0.2063(2) 0.052(2) Uani 1 1 d GU . .
C421 C 0.2481(5) 0.5697(3) -0.1939(3) 0.061(3) Uani 1 1 d GU . .
H421 H 0.2311 0.5431 -0.1741 0.074 Uiso 1 1 calc R . .
C422 C 0.3254(5) 0.5638(3) -0.2112(3) 0.106(4) Uani 1 1 d GU . .
H422 H 0.3601 0.5333 -0.2029 0.127 Uiso 1 1 calc R . .
C423 C 0.3508(4) 0.6035(4) -0.2408(3) 0.092(4) Uani 1 1 d GU . .
H423 H 0.4026 0.5996 -0.2523 0.111 Uiso 1 1 calc R . .
C424 C 0.2990(5) 0.6491(4) -0.2532(3) 0.106(5) Uani 1 1 d GU . .
H424 H 0.3160 0.6756 -0.2730 0.127 Uiso 1 1 calc R . .
C425 C 0.2217(5) 0.6549(3) -0.2359(3) 0.072(3) Uani 1 1 d GU . .
H425 H 0.1871 0.6854 -0.2442 0.086 Uiso 1 1 calc R . .
C426 C 0.1907(7) 0.6294(5) -0.1028(4) 0.056(2) Uani 1 1 d U . .
H42A H 0.1889 0.5906 -0.1084 0.067 Uiso 1 1 calc R . .
H42B H 0.2464 0.6422 -0.1089 0.067 Uiso 1 1 calc R . .
C427 C 0.1903(6) 0.6380(4) -0.0517(4) 0.0411(14) Uani 1 1 d U . .
O428 O 0.1185(4) 0.6681(3) -0.0440(2) 0.0469(12) Uani 1 1 d U . .
O429 O 0.2491(5) 0.6323(3) -0.0180(2) 0.0598(15) Uani 1 1 d U . .
N601 N -0.0864(11) 0.2090(6) -0.1265(5) 0.132(6) Uani 1 1 d U . .
C601 C -0.0837(15) 0.2381(8) -0.1554(6) 0.128(8) Uani 1 1 d U . .
C603 C -0.0853(10) 0.2773(7) -0.1907(6) 0.126(6) Uani 1 1 d U . .
H60A H -0.0533 0.3085 -0.1767 0.190 Uiso 1 1 calc R . .
H60B H -0.1446 0.2874 -0.2036 0.190 Uiso 1 1 calc R . .
H60C H -0.0590 0.2633 -0.2165 0.190 Uiso 1 1 calc R . .
N604 N -0.3916(10) 0.4504(6) -0.3673(5) 0.128(5) Uani 1 1 d U . .
C605 C -0.4020(10) 0.4828(7) -0.3331(7) 0.096(5) Uani 1 1 d U . .
C606 C -0.4007(13) 0.5189(9) -0.2969(7) 0.168(9) Uani 1 1 d U . .
H60D H -0.3585 0.5079 -0.2690 0.253 Uiso 1 1 calc R . .
H60E H -0.4574 0.5206 -0.2884 0.253 Uiso 1 1 calc R . .
H60F H -0.3854 0.5540 -0.3075 0.253 Uiso 1 1 calc R . .
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'
Cl Cl 0.1484 0.1585 '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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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
_geom_angle_publ_flag
O13 Cl1 O12 109.5(9) . . ?
O13 Cl1 O14 111.2(9) . . ?
O12 Cl1 O14 108.8(9) . . ?
O13 Cl1 O11 110.0(7) . . ?
O12 Cl1 O11 109.3(7) . . ?
O14 Cl1 O11 107.9(9) . . ?
O24 Cl2 O22 112.4(10) . . ?
O24 Cl2 O21 111.4(10) . . ?
O22 Cl2 O21 107.8(10) . . ?
O24 Cl2 O23 108.7(11) . . ?
O22 Cl2 O23 107.4(11) . . ?
O21 Cl2 O23 109.0(11) . . ?
O31 Cl3 O32 117.5(11) . . ?
O31 Cl3 O33 113.0(9) . . ?
O32 Cl3 O33 112.7(9) . . ?
O31 Cl3 O34 104.1(11) . . ?
O32 Cl3 O34 106.4(11) . . ?
O33 Cl3 O34 101.1(11) . . ?
O44 Cl4 O42 115.8(10) . . ?
O44 Cl4 O43 114.8(6) . . ?
O42 Cl4 O43 105.6(8) . . ?
O44 Cl4 O41 103.9(10) . . ?
O42 Cl4 O41 105.1(10) . . ?
O43 Cl4 O41 111.3(8) . . ?
O229 Mn1 O128 90.8(3) . . ?
O229 Mn1 N115 113.5(3) . . ?
O128 Mn1 N115 82.8(2) . . ?
O229 Mn1 N108 90.2(2) . . ?
O128 Mn1 N108 159.4(2) . . ?
N115 Mn1 N108 115.5(2) . . ?
O229 Mn1 N101 163.3(3) . . ?
O128 Mn1 N101 105.1(3) . . ?
N115 Mn1 N101 74.4(3) . . ?
N108 Mn1 N101 73.1(3) . . ?
O229 Mn1 N118 102.8(3) . . ?
O128 Mn1 N118 72.3(2) . . ?
N115 Mn1 N118 135.9(2) . . ?
N108 Mn1 N118 87.4(2) . . ?
N101 Mn1 N118 77.8(3) . . ?
C116 N101 C109 113.7(8) . . ?
C116 N101 C102 112.5(8) . . ?
C109 N101 C102 110.3(8) . . ?
C116 N101 Mn1 109.3(6) . . ?
C109 N101 Mn1 107.1(6) . . ?
C102 N101 Mn1 103.2(6) . . ?
C103 C102 N101 114.4(8) . . ?
C103 C102 H10A 108.7 . . ?
N101 C102 H10A 108.7 . . ?
C103 C102 H10B 108.7 . . ?
N101 C102 H10B 108.7 . . ?
H10A C102 H10B 107.6 . . ?
C104 C103 N108 120.0 . . ?
C104 C103 C102 124.4(6) . . ?
N108 C103 C102 115.5(6) . . ?
C103 C104 C105 120.0 . . ?
C103 C104 H104 120.0 . . ?
C105 C104 H104 120.0 . . ?
C106 C105 C104 120.0 . . ?
C106 C105 H105 120.0 . . ?
C104 C105 H105 120.0 . . ?
C107 C106 C105 120.0 . . ?
C107 C106 H106 120.0 . . ?
C105 C106 H106 120.0 . . ?
C106 C107 N108 120.0 . . ?
C106 C107 H107 120.0 . . ?
N108 C107 H107 120.0 . . ?
C107 N108 C103 120.0 . . ?
C107 N108 Mn1 125.6(3) . . ?
C103 N108 Mn1 114.1(3) . . ?
N101 C109 C110 113.5(8) . . ?
N101 C109 H10C 108.9 . . ?
C110 C109 H10C 108.9 . . ?
N101 C109 H10D 108.9 . . ?
C110 C109 H10D 108.9 . . ?
H10C C109 H10D 107.7 . . ?
C111 C110 N115 120.0 . . ?
C111 C110 C109 123.6(6) . . ?
N115 C110 C109 115.5(6) . . ?
C112 C111 C110 120.0 . . ?
C112 C111 H111 120.0 . . ?
C110 C111 H111 120.0 . . ?
C111 C112 C113 120.0 . . ?
C111 C112 H112 120.0 . . ?
C113 C112 H112 120.0 . . ?
C114 C113 C112 120.0 . . ?
C114 C113 H113 120.0 . . ?
C112 C113 H113 120.0 . . ?
N115 C114 C113 120.0 . . ?
N115 C114 H114 120.0 . . ?
C113 C114 H114 120.0 . . ?
C114 N115 C110 120.0 . . ?
C114 N115 Mn1 124.2(3) . . ?
C110 N115 Mn1 115.7(3) . . ?
N101 C116 C117 113.1(8) . . ?
N101 C116 H11A 109.0 . . ?
C117 C116 H11A 109.0 . . ?
N101 C116 H11B 109.0 . . ?
C117 C116 H11B 109.0 . . ?
H11A C116 H11B 107.8 . . ?
N118 C117 C116 108.7(7) . . ?
N118 C117 H11C 109.9 . . ?
C116 C117 H11C 109.9 . . ?
N118 C117 H11D 109.9 . . ?
C116 C117 H11D 109.9 . . ?
H11C C117 H11D 108.3 . . ?
C126 N118 C117 109.1(7) . . ?
C126 N118 C119 110.2(8) . . ?
C117 N118 C119 110.1(7) . . ?
C126 N118 Mn1 106.0(6) . . ?
C117 N118 Mn1 102.9(6) . . ?
C119 N118 Mn1 118.0(6) . . ?
C120 C119 N118 117.6(8) . . ?
C120 C119 H11E 107.9 . . ?
N118 C119 H11E 107.9 . . ?
C120 C119 H11F 107.9 . . ?
N118 C119 H11F 107.9 . . ?
H11E C119 H11F 107.2 . . ?
C121 C120 C125 120.0 . . ?
C121 C120 C119 121.5(6) . . ?
C125 C120 C119 118.4(6) . . ?
C120 C121 C122 120.0 . . ?
C120 C121 H121 120.0 . . ?
C122 C121 H121 120.0 . . ?
C123 C122 C121 120.0 . . ?
C123 C122 H122 120.0 . . ?
C121 C122 H122 120.0 . . ?
C122 C123 C124 120.0 . . ?
C122 C123 H123 120.0 . . ?
C124 C123 H123 120.0 . . ?
C125 C124 C123 120.0 . . ?
C125 C124 H124 120.0 . . ?
C123 C124 H124 120.0 . . ?
C124 C125 C120 120.0 . . ?
C124 C125 H125 120.0 . . ?
C120 C125 H125 120.0 . . ?
N118 C126 C127 109.0(8) . . ?
N118 C126 H12A 109.9 . . ?
C127 C126 H12A 109.9 . . ?
N118 C126 H12B 109.9 . . ?
C127 C126 H12B 109.9 . . ?
H12A C126 H12B 108.3 . . ?
O128 C127 O129 131.7(10) . . ?
O128 C127 C126 121.3(9) . . ?
O129 C127 C126 106.9(8) . . ?
C127 O128 Mn1 119.9(6) . . ?
C127 O129 Mn3 128.4(6) . . ?
O429 Mn2 O228 102.1(3) . . ?
O429 Mn2 N215 105.6(3) . . ?
O228 Mn2 N215 82.8(2) . . ?
O429 Mn2 N208 86.0(3) . . ?
O228 Mn2 N208 169.0(2) . . ?
N215 Mn2 N208 102.4(2) . . ?
O429 Mn2 N201 158.5(3) . . ?
O228 Mn2 N201 99.0(3) . . ?
N215 Mn2 N201 73.0(3) . . ?
N208 Mn2 N201 73.7(3) . . ?
O429 Mn2 N218 111.4(3) . . ?
O228 Mn2 N218 72.6(2) . . ?
N215 Mn2 N218 138.9(3) . . ?
N208 Mn2 N218 97.6(2) . . ?
N201 Mn2 N218 78.9(3) . . ?
C216 N201 C202 111.5(8) . . ?
C216 N201 C209 113.1(8) . . ?
C202 N201 C209 111.3(8) . . ?
C216 N201 Mn2 107.4(6) . . ?
C202 N201 Mn2 109.5(6) . . ?
C209 N201 Mn2 103.7(6) . . ?
C203 C202 N201 110.6(8) . . ?
C203 C202 H20A 109.5 . . ?
N201 C202 H20A 109.5 . . ?
C203 C202 H20B 109.5 . . ?
N201 C202 H20B 109.5 . . ?
H20A C202 H20B 108.1 . . ?
C204 C203 N208 120.0 . . ?
C204 C203 C202 122.3(6) . . ?
N208 C203 C202 117.3(6) . . ?
C205 C204 C203 120.0 . . ?
C205 C204 H204 120.0 . . ?
C203 C204 H204 120.0 . . ?
C204 C205 C206 120.0 . . ?
C204 C205 H205 120.0 . . ?
C206 C205 H205 120.0 . . ?
C205 C206 C207 120.0 . . ?
C205 C206 H206 120.0 . . ?
C207 C206 H206 120.0 . . ?
C206 C207 N208 120.0 . . ?
C206 C207 H207 120.0 . . ?
N208 C207 H207 120.0 . . ?
C207 N208 C203 120.0 . . ?
C207 N208 Mn2 124.8(3) . . ?
C203 N208 Mn2 115.1(3) . . ?
C210 C209 N201 111.4(8) . . ?
C210 C209 H20C 109.3 . . ?
N201 C209 H20C 109.3 . . ?
C210 C209 H20D 109.3 . . ?
N201 C209 H20D 109.3 . . ?
H20C C209 H20D 108.0 . . ?
C211 C210 N215 120.0 . . ?
C211 C210 C209 123.7(6) . . ?
N215 C210 C209 116.2(6) . . ?
C210 C211 C212 120.0 . . ?
C210 C211 H211 120.0 . . ?
C212 C211 H211 120.0 . . ?
C213 C212 C211 120.0 . . ?
C213 C212 H212 120.0 . . ?
C211 C212 H212 120.0 . . ?
C212 C213 C214 120.0 . . ?
C212 C213 H213 120.0 . . ?
C214 C213 H213 120.0 . . ?
N215 C214 C213 120.0 . . ?
N215 C214 H214 120.0 . . ?
C213 C214 H214 120.0 . . ?
C214 N215 C210 120.0 . . ?
C214 N215 Mn2 125.5(3) . . ?
C210 N215 Mn2 114.2(3) . . ?
N201 C216 C217 114.2(8) . . ?
N201 C216 H21A 108.7 . . ?
C217 C216 H21A 108.7 . . ?
N201 C216 H21B 108.7 . . ?
C217 C216 H21B 108.7 . . ?
H21A C216 H21B 107.6 . . ?
N218 C217 C216 111.7(8) . . ?
N218 C217 H21C 109.3 . . ?
C216 C217 H21C 109.3 . . ?
N218 C217 H21D 109.3 . . ?
C216 C217 H21D 109.3 . . ?
H21C C217 H21D 108.0 . . ?
C226 N218 C219 111.9(7) . . ?
C226 N218 C217 109.5(7) . . ?
C219 N218 C217 113.3(7) . . ?
C226 N218 Mn2 105.2(5) . . ?
C219 N218 Mn2 112.5(5) . . ?
C217 N218 Mn2 103.9(5) . . ?
N218 C219 C220 114.7(7) . . ?
N218 C219 H21E 108.6 . . ?
C220 C219 H21E 108.6 . . ?
N218 C219 H21F 108.6 . . ?
C220 C219 H21F 108.6 . . ?
H21E C219 H21F 107.6 . . ?
C221 C220 C225 120.0 . . ?
C221 C220 C219 120.5(6) . . ?
C225 C220 C219 119.5(6) . . ?
C220 C221 C222 120.0 . . ?
C220 C221 H221 120.0 . . ?
C222 C221 H221 120.0 . . ?
C223 C222 C221 120.0 . . ?
C223 C222 H222 120.0 . . ?
C221 C222 H222 120.0 . . ?
C222 C223 C224 120.0 . . ?
C222 C223 H223 120.0 . . ?
C224 C223 H223 120.0 . . ?
C223 C224 C225 120.0 . . ?
C223 C224 H224 120.0 . . ?
C225 C224 H224 120.0 . . ?
C224 C225 C220 120.0 . . ?
C224 C225 H225 120.0 . . ?
C220 C225 H225 120.0 . . ?
N218 C226 C227 111.0(8) . . ?
N218 C226 H22A 109.4 . . ?
C227 C226 H22A 109.4 . . ?
N218 C226 H22B 109.4 . . ?
C227 C226 H22B 109.4 . . ?
H22A C226 H22B 108.0 . . ?
O228 C227 O229 122.1(9) . . ?
O228 C227 C226 119.6(9) . . ?
O229 C227 C226 118.2(9) . . ?
C227 O228 Mn2 117.4(6) . . ?
C227 O229 Mn1 110.7(6) . . ?
O129 Mn3 O328 101.2(3) . . ?
O129 Mn3 N315 105.8(3) . . ?
O328 Mn3 N315 83.1(2) . . ?
O129 Mn3 N308 87.1(2) . . ?
O328 Mn3 N308 169.2(2) . . ?
N315 Mn3 N308 101.3(2) . . ?
O129 Mn3 N301 159.5(3) . . ?
O328 Mn3 N301 98.9(3) . . ?
N315 Mn3 N301 72.9(3) . . ?
N308 Mn3 N301 73.4(3) . . ?
O129 Mn3 N318 110.3(3) . . ?
O328 Mn3 N318 73.0(2) . . ?
N315 Mn3 N318 139.7(2) . . ?
N308 Mn3 N318 97.8(2) . . ?
N301 Mn3 N318 79.2(3) . . ?
C309 N301 C302 109.8(8) . . ?
C309 N301 C316 113.4(8) . . ?
C302 N301 C316 110.3(8) . . ?
C309 N301 Mn3 107.5(6) . . ?
C302 N301 Mn3 108.3(6) . . ?
C316 N301 Mn3 107.3(5) . . ?
C303 C302 N301 114.3(8) . . ?
C303 C302 H30A 108.7 . . ?
N301 C302 H30A 108.7 . . ?
C303 C302 H30B 108.7 . . ?
N301 C302 H30B 108.7 . . ?
H30A C302 H30B 107.6 . . ?
C304 C303 N308 120.0 . . ?
C304 C303 C302 124.4(6) . . ?
N308 C303 C302 115.5(6) . . ?
C305 C304 C303 120.0 . . ?
C305 C304 H304 120.0 . . ?
C303 C304 H304 120.0 . . ?
C304 C305 C306 120.0 . . ?
C304 C305 H305 120.0 . . ?
C306 C305 H305 120.0 . . ?
C307 C306 C305 120.0 . . ?
C307 C306 H306 120.0 . . ?
C305 C306 H306 120.0 . . ?
N308 C307 C306 120.0 . . ?
N308 C307 H307 120.0 . . ?
C306 C307 H307 120.0 . . ?
C307 N308 C303 120.0 . . ?
C307 N308 Mn3 123.5(3) . . ?
C303 N308 Mn3 116.3(3) . . ?
N301 C309 C310 110.1(8) . . ?
N301 C309 H30C 109.6 . . ?
C310 C309 H30C 109.6 . . ?
N301 C309 H30D 109.6 . . ?
C310 C309 H30D 109.6 . . ?
H30C C309 H30D 108.2 . . ?
C311 C310 N315 120.0 . . ?
C311 C310 C309 123.2(6) . . ?
N315 C310 C309 116.8(6) . . ?
C312 C311 C310 120.0 . . ?
C312 C311 H311 120.0 . . ?
C310 C311 H311 120.0 . . ?
C311 C312 C313 120.0 . . ?
C311 C312 H312 120.0 . . ?
C313 C312 H312 120.0 . . ?
C312 C313 C314 120.0 . . ?
C312 C313 H313 120.0 . . ?
C314 C313 H313 120.0 . . ?
N315 C314 C313 120.0 . . ?
N315 C314 H314 120.0 . . ?
C313 C314 H314 120.0 . . ?
C314 N315 C310 120.0 . . ?
C314 N315 Mn3 126.1(3) . . ?
C310 N315 Mn3 113.8(3) . . ?
C317 C316 N301 111.7(8) . . ?
C317 C316 H31A 109.3 . . ?
N301 C316 H31A 109.3 . . ?
C317 C316 H31B 109.3 . . ?
N301 C316 H31B 109.3 . . ?
H31A C316 H31B 107.9 . . ?
C316 C317 N318 111.6(8) . . ?
C316 C317 H31C 109.3 . . ?
N318 C317 H31C 109.3 . . ?
C316 C317 H31D 109.3 . . ?
N318 C317 H31D 109.3 . . ?
H31C C317 H31D 108.0 . . ?
C326 N318 C317 108.7(7) . . ?
C326 N318 C319 109.4(7) . . ?
C317 N318 C319 112.0(7) . . ?
C326 N318 Mn3 107.1(5) . . ?
C317 N318 Mn3 104.6(5) . . ?
C319 N318 Mn3 114.8(5) . . ?
C320 C319 N318 118.3(7) . . ?
C320 C319 H31E 107.7 . . ?
N318 C319 H31E 107.7 . . ?
C320 C319 H31F 107.7 . . ?
N318 C319 H31F 107.7 . . ?
H31E C319 H31F 107.1 . . ?
C321 C320 C325 120.0 . . ?
C321 C320 C319 118.3(6) . . ?
C325 C320 C319 121.7(6) . . ?
C322 C321 C320 120.0 . . ?
C322 C321 H321 120.0 . . ?
C320 C321 H321 120.0 . . ?
C321 C322 C323 120.0 . . ?
C321 C322 H322 120.0 . . ?
C323 C322 H322 120.0 . . ?
C324 C323 C322 120.0 . . ?
C324 C323 H323 120.0 . . ?
C322 C323 H323 120.0 . . ?
C323 C324 C325 120.0 . . ?
C323 C324 H324 120.0 . . ?
C325 C324 H324 120.0 . . ?
C324 C325 C320 120.0 . . ?
C324 C325 H325 120.0 . . ?
C320 C325 H325 120.0 . . ?
N318 C326 C327 109.8(8) . . ?
N318 C326 H32A 109.7 . . ?
C327 C326 H32A 109.7 . . ?
N318 C326 H32B 109.7 . . ?
C327 C326 H32B 109.7 . . ?
H32A C326 H32B 108.2 . . ?
O329 C327 O328 122.6(8) . . ?
O329 C327 C326 120.5(9) . . ?
O328 C327 C326 116.9(9) . . ?
C327 O328 Mn3 118.5(6) . . ?
C327 O329 Mn4 111.9(6) . . ?
O329 Mn4 O428 90.7(2) . . ?
O329 Mn4 N408 90.1(2) . . ?
O428 Mn4 N408 158.7(2) . . ?
O329 Mn4 N415 114.1(3) . . ?
O428 Mn4 N415 83.1(2) . . ?
N408 Mn4 N415 115.8(2) . . ?
O329 Mn4 N401 161.4(3) . . ?
O428 Mn4 N401 107.6(3) . . ?
N408 Mn4 N401 71.5(3) . . ?
N415 Mn4 N401 72.9(3) . . ?
O329 Mn4 N418 103.2(3) . . ?
O428 Mn4 N418 72.6(3) . . ?
N408 Mn4 N418 86.5(2) . . ?
N415 Mn4 N418 135.5(3) . . ?
N401 Mn4 N418 79.5(3) . . ?
C402 N401 C409 110.4(9) . . ?
C402 N401 C416 110.0(9) . . ?
C409 N401 C416 110.5(8) . . ?
C402 N401 Mn4 111.1(7) . . ?
C409 N401 Mn4 109.2(6) . . ?
C416 N401 Mn4 105.5(6) . . ?
N401 C402 C403 113.3(9) . . ?
N401 C402 H40A 108.9 . . ?
C403 C402 H40A 108.9 . . ?
N401 C402 H40B 108.9 . . ?
C403 C402 H40B 108.9 . . ?
H40A C402 H40B 107.7 . . ?
C404 C403 N408 120.0 . . ?
C404 C403 C402 126.9(6) . . ?
N408 C403 C402 113.1(6) . . ?
C403 C404 C405 120.0 . . ?
C403 C404 H404 120.0 . . ?
C405 C404 H404 120.0 . . ?
C406 C405 C404 120.0 . . ?
C406 C405 H405 120.0 . . ?
C404 C405 H405 120.0 . . ?
C405 C406 C407 120.0 . . ?
C405 C406 H406 120.0 . . ?
C407 C406 H406 120.0 . . ?
N408 C407 C406 120.0 . . ?
N408 C407 H407 120.0 . . ?
C406 C407 H407 120.0 . . ?
C407 N408 C403 120.0 . . ?
C407 N408 Mn4 123.2(3) . . ?
C403 N408 Mn4 116.5(3) . . ?
C410 C409 N401 112.3(8) . . ?
C410 C409 H40C 109.2 . . ?
N401 C409 H40C 109.2 . . ?
C410 C409 H40D 109.2 . . ?
N401 C409 H40D 109.2 . . ?
H40C C409 H40D 107.9 . . ?
C411 C410 N415 120.0 . . ?
C411 C410 C409 124.3(6) . . ?
N415 C410 C409 115.5(6) . . ?
C410 C411 C412 120.0 . . ?
C410 C411 H411 120.0 . . ?
C412 C411 H411 120.0 . . ?
C411 C412 C413 120.0 . . ?
C411 C412 H412 120.0 . . ?
C413 C412 H412 120.0 . . ?
C412 C413 C414 120.0 . . ?
C412 C413 H413 120.0 . . ?
C414 C413 H413 120.0 . . ?
N415 C414 C413 120.0 . . ?
N415 C414 H414 120.0 . . ?
C413 C414 H414 120.0 . . ?
C414 N415 C410 120.0 . . ?
C414 N415 Mn4 123.9(3) . . ?
C410 N415 Mn4 116.0(3) . . ?
C417 C416 N401 111.7(8) . . ?
C417 C416 H41A 109.3 . . ?
N401 C416 H41A 109.3 . . ?
C417 C416 H41B 109.3 . . ?
N401 C416 H41B 109.3 . . ?
H41A C416 H41B 107.9 . . ?
N418 C417 C416 108.8(8) . . ?
N418 C417 H41C 109.9 . . ?
C416 C417 H41C 109.9 . . ?
N418 C417 H41D 109.9 . . ?
C416 C417 H41D 109.9 . . ?
H41C C417 H41D 108.3 . . ?
C417 N418 C426 108.7(8) . . ?
C417 N418 C419 113.0(7) . . ?
C426 N418 C419 108.8(8) . . ?
C417 N418 Mn4 101.0(6) . . ?
C426 N418 Mn4 105.1(6) . . ?
C419 N418 Mn4 119.3(6) . . ?
N418 C419 C420 116.0(8) . . ?
N418 C419 H41E 108.3 . . ?
C420 C419 H41E 108.3 . . ?
N418 C419 H41F 108.3 . . ?
C420 C419 H41F 108.3 . . ?
H41E C419 H41F 107.4 . . ?
C421 C420 C425 120.0 . . ?
C421 C420 C419 118.7(6) . . ?
C425 C420 C419 121.2(6) . . ?
C422 C421 C420 120.0 . . ?
C422 C421 H421 120.0 . . ?
C420 C421 H421 120.0 . . ?
C421 C422 C423 120.0 . . ?
C421 C422 H422 120.0 . . ?
C423 C422 H422 120.0 . . ?
C424 C423 C422 120.0 . . ?
C424 C423 H423 120.0 . . ?
C422 C423 H423 120.0 . . ?
C423 C424 C425 120.0 . . ?
C423 C424 H424 120.0 . . ?
C425 C424 H424 120.0 . . ?
C424 C425 C420 120.0 . . ?
C424 C425 H425 120.0 . . ?
C420 C425 H425 120.0 . . ?
C427 C426 N418 119.7(9) . . ?
C427 C426 H42A 107.4 . . ?
N418 C426 H42A 107.4 . . ?
C427 C426 H42B 107.4 . . ?
N418 C426 H42B 107.4 . . ?
H42A C426 H42B 106.9 . . ?
O429 C427 O428 117.4(9) . . ?
O429 C427 C426 128.1(10) . . ?
O428 C427 C426 112.7(9) . . ?
C427 O428 Mn4 117.0(5) . . ?
C427 O429 Mn2 140.3(7) . . ?
N601 C601 C603 175(2) . . ?
C601 C603 H60A 109.5 . . ?
C601 C603 H60B 109.5 . . ?
H60A C603 H60B 109.5 . . ?
C601 C603 H60C 109.5 . . ?
H60A C603 H60C 109.5 . . ?
H60B C603 H60C 109.5 . . ?
N604 C605 C606 171.6(18) . . ?
C605 C606 H60D 109.5 . . ?
C605 C606 H60E 109.5 . . ?
H60D C606 H60E 109.5 . . ?
C605 C606 H60F 109.5 . . ?
H60D C606 H60F 109.5 . . ?
H60E C606 H60F 109.5 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Cl1 O13 1.304(9) . ?
Cl1 O12 1.319(9) . ?
Cl1 O14 1.341(11) . ?
Cl1 O11 1.390(8) . ?
Cl2 O24 1.279(10) . ?
Cl2 O22 1.302(10) . ?
Cl2 O21 1.320(10) . ?
Cl2 O23 1.363(11) . ?
Cl3 O31 1.271(9) . ?
Cl3 O32 1.299(11) . ?
Cl3 O33 1.331(10) . ?
Cl3 O34 1.380(11) . ?
Cl4 O44 1.299(9) . ?
Cl4 O42 1.304(11) . ?
Cl4 O43 1.347(8) . ?
Cl4 O41 1.369(11) . ?
Mn1 O229 2.116(6) . ?
Mn1 O128 2.170(6) . ?
Mn1 N115 2.246(4) . ?
Mn1 N108 2.259(5) . ?
Mn1 N101 2.314(7) . ?
Mn1 N118 2.384(8) . ?
N101 C116 1.416(12) . ?
N101 C109 1.463(12) . ?
N101 C102 1.495(13) . ?
C102 C103 1.410(12) . ?
C102 H10A 0.9700 . ?
C102 H10B 0.9700 . ?
C103 C104 1.3900 . ?
C103 N108 1.3900 . ?
C104 C105 1.3900 . ?
C104 H104 0.9300 . ?
C105 C106 1.3900 . ?
C105 H105 0.9300 . ?
C106 C107 1.3900 . ?
C106 H106 0.9300 . ?
C107 N108 1.3900 . ?
C107 H107 0.9300 . ?
C109 C110 1.470(11) . ?
C109 H10C 0.9700 . ?
C109 H10D 0.9700 . ?
C110 C111 1.3900 . ?
C110 N115 1.3900 . ?
C111 C112 1.3900 . ?
C111 H111 0.9300 . ?
C112 C113 1.3900 . ?
C112 H112 0.9300 . ?
C113 C114 1.3900 . ?
C113 H113 0.9300 . ?
C114 N115 1.3900 . ?
C114 H114 0.9300 . ?
C116 C117 1.568(13) . ?
C116 H11A 0.9700 . ?
C116 H11B 0.9700 . ?
C117 N118 1.499(12) . ?
C117 H11C 0.9700 . ?
C117 H11D 0.9700 . ?
N118 C126 1.467(12) . ?
N118 C119 1.518(12) . ?
C119 C120 1.457(11) . ?
C119 H11E 0.9700 . ?
C119 H11F 0.9700 . ?
C120 C121 1.3900 . ?
C120 C125 1.3900 . ?
C121 C122 1.3900 . ?
C121 H121 0.9300 . ?
C122 C123 1.3900 . ?
C122 H122 0.9300 . ?
C123 C124 1.3900 . ?
C123 H123 0.9300 . ?
C124 C125 1.3900 . ?
C124 H124 0.9300 . ?
C125 H125 0.9300 . ?
C126 C127 1.579(13) . ?
C126 H12A 0.9700 . ?
C126 H12B 0.9700 . ?
C127 O128 1.143(10) . ?
C127 O129 1.275(10) . ?
O129 Mn3 2.097(6) . ?
Mn2 O429 2.056(7) . ?
Mn2 O228 2.180(6) . ?
Mn2 N215 2.241(5) . ?
Mn2 N208 2.261(5) . ?
Mn2 N201 2.309(8) . ?
Mn2 N218 2.343(7) . ?
N201 C216 1.454(12) . ?
N201 C202 1.475(13) . ?
N201 C209 1.506(13) . ?
C202 C203 1.469(11) . ?
C202 H20A 0.9700 . ?
C202 H20B 0.9700 . ?
C203 C204 1.3900 . ?
C203 N208 1.3900 . ?
C204 C205 1.3900 . ?
C204 H204 0.9300 . ?
C205 C206 1.3900 . ?
C205 H205 0.9300 . ?
C206 C207 1.3900 . ?
C206 H206 0.9300 . ?
C207 N208 1.3900 . ?
C207 H207 0.9300 . ?
C209 C210 1.435(11) . ?
C209 H20C 0.9700 . ?
C209 H20D 0.9700 . ?
C210 C211 1.3900 . ?
C210 N215 1.3900 . ?
C211 C212 1.3900 . ?
C211 H211 0.9300 . ?
C212 C213 1.3900 . ?
C212 H212 0.9300 . ?
C213 C214 1.3900 . ?
C213 H213 0.9300 . ?
C214 N215 1.3900 . ?
C214 H214 0.9300 . ?
C216 C217 1.499(13) . ?
C216 H21A 0.9700 . ?
C216 H21B 0.9700 . ?
C217 N218 1.495(11) . ?
C217 H21C 0.9700 . ?
C217 H21D 0.9700 . ?
N218 C226 1.460(11) . ?
N218 C219 1.475(11) . ?
C219 C220 1.514(10) . ?
C219 H21E 0.9700 . ?
C219 H21F 0.9700 . ?
C220 C221 1.3900 . ?
C220 C225 1.3900 . ?
C221 C222 1.3900 . ?
C221 H221 0.9300 . ?
C222 C223 1.3900 . ?
C222 H222 0.9300 . ?
C223 C224 1.3900 . ?
C223 H223 0.9300 . ?
C224 C225 1.3900 . ?
C224 H224 0.9300 . ?
C225 H225 0.9300 . ?
C226 C227 1.501(12) . ?
C226 H22A 0.9700 . ?
C226 H22B 0.9700 . ?
C227 O228 1.238(10) . ?
C227 O229 1.251(11) . ?
Mn3 O328 2.161(6) . ?
Mn3 N315 2.255(5) . ?
Mn3 N308 2.272(5) . ?
Mn3 N301 2.301(8) . ?
Mn3 N318 2.326(7) . ?
N301 C309 1.446(12) . ?
N301 C302 1.488(12) . ?
N301 C316 1.525(12) . ?
C302 C303 1.422(11) . ?
C302 H30A 0.9700 . ?
C302 H30B 0.9700 . ?
C303 C304 1.3900 . ?
C303 N308 1.3900 . ?
C304 C305 1.3900 . ?
C304 H304 0.9300 . ?
C305 C306 1.3900 . ?
C305 H305 0.9300 . ?
C306 C307 1.3900 . ?
C306 H306 0.9300 . ?
C307 N308 1.3900 . ?
C307 H307 0.9300 . ?
C309 C310 1.489(12) . ?
C309 H30C 0.9700 . ?
C309 H30D 0.9700 . ?
C310 C311 1.3900 . ?
C310 N315 1.3900 . ?
C311 C312 1.3900 . ?
C311 H311 0.9300 . ?
C312 C313 1.3900 . ?
C312 H312 0.9300 . ?
C313 C314 1.3900 . ?
C313 H313 0.9300 . ?
C314 N315 1.3900 . ?
C314 H314 0.9300 . ?
C316 C317 1.491(13) . ?
C316 H31A 0.9700 . ?
C316 H31B 0.9700 . ?
C317 N318 1.501(11) . ?
C317 H31C 0.9700 . ?
C317 H31D 0.9700 . ?
N318 C326 1.491(12) . ?
N318 C319 1.518(11) . ?
C319 C320 1.444(10) . ?
C319 H31E 0.9700 . ?
C319 H31F 0.9700 . ?
C320 C321 1.3900 . ?
C320 C325 1.3900 . ?
C321 C322 1.3900 . ?
C321 H321 0.9300 . ?
C322 C323 1.3900 . ?
C322 H322 0.9300 . ?
C323 C324 1.3900 . ?
C323 H323 0.9300 . ?
C324 C325 1.3900 . ?
C324 H324 0.9300 . ?
C325 H325 0.9300 . ?
C326 C327 1.499(13) . ?
C326 H32A 0.9700 . ?
C326 H32B 0.9700 . ?
C327 O329 1.231(11) . ?
C327 O328 1.343(11) . ?
O329 Mn4 2.111(6) . ?
Mn4 O428 2.197(6) . ?
Mn4 N408 2.263(5) . ?
Mn4 N415 2.270(5) . ?
Mn4 N401 2.290(8) . ?
Mn4 N418 2.382(9) . ?
N401 C402 1.381(13) . ?
N401 C409 1.472(12) . ?
N401 C416 1.540(12) . ?
C402 C403 1.525(13) . ?
C402 H40A 0.9700 . ?
C402 H40B 0.9700 . ?
C403 C404 1.3900 . ?
C403 N408 1.3900 . ?
C404 C405 1.3900 . ?
C404 H404 0.9300 . ?
C405 C406 1.3900 . ?
C405 H405 0.9300 . ?
C406 C407 1.3900 . ?
C406 H406 0.9300 . ?
C407 N408 1.3900 . ?
C407 H407 0.9300 . ?
C409 C410 1.464(11) . ?
C409 H40C 0.9700 . ?
C409 H40D 0.9700 . ?
C410 C411 1.3900 . ?
C410 N415 1.3900 . ?
C411 C412 1.3900 . ?
C411 H411 0.9300 . ?
C412 C413 1.3900 . ?
C412 H412 0.9300 . ?
C413 C414 1.3900 . ?
C413 H413 0.9300 . ?
C414 N415 1.3900 . ?
C414 H414 0.9300 . ?
C416 C417 1.526(15) . ?
C416 H41A 0.9700 . ?
C416 H41B 0.9700 . ?
C417 N418 1.462(12) . ?
C417 H41C 0.9700 . ?
C417 H41D 0.9700 . ?
N418 C426 1.465(12) . ?
N418 C419 1.469(12) . ?
C419 C420 1.550(11) . ?
C419 H41E 0.9700 . ?
C419 H41F 0.9700 . ?
C420 C421 1.3900 . ?
C420 C425 1.3900 . ?
C421 C422 1.3900 . ?
C421 H421 0.9300 . ?
C422 C423 1.3900 . ?
C422 H422 0.9300 . ?
C423 C424 1.3900 . ?
C423 H423 0.9300 . ?
C424 C425 1.3900 . ?
C424 H424 0.9300 . ?
C425 H425 0.9300 . ?
C426 C427 1.450(13) . ?
C426 H42A 0.9700 . ?
C426 H42B 0.9700 . ?
C427 O429 1.192(10) . ?
C427 O428 1.395(11) . ?
N601 C601 1.089(19) . ?
C601 C603 1.38(2) . ?
C603 H60A 0.9600 . ?
C603 H60B 0.9600 . ?
C603 H60C 0.9600 . ?
N604 C605 1.28(2) . ?
C605 C606 1.35(2) . ?
C606 H60D 0.9600 . ?
C606 H60E 0.9600 . ?
C606 H60F 0.9600 . ?
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O229 Mn1 N101 C116 88.1(12) . . . . ?
O128 Mn1 N101 C116 -73.4(7) . . . . ?
N115 Mn1 N101 C116 -151.2(7) . . . . ?
N108 Mn1 N101 C116 85.2(7) . . . . ?
N118 Mn1 N101 C116 -5.7(6) . . . . ?
O229 Mn1 N101 C109 -148.3(10) . . . . ?
O128 Mn1 N101 C109 50.2(7) . . . . ?
N115 Mn1 N101 C109 -27.6(6) . . . . ?
N108 Mn1 N101 C109 -151.2(7) . . . . ?
N118 Mn1 N101 C109 117.9(7) . . . . ?
O229 Mn1 N101 C102 -31.8(13) . . . . ?
O128 Mn1 N101 C102 166.7(6) . . . . ?
N115 Mn1 N101 C102 88.9(6) . . . . ?
N108 Mn1 N101 C102 -34.7(6) . . . . ?
N118 Mn1 N101 C102 -125.7(6) . . . . ?
C116 N101 C102 C103 -70.2(11) . . . . ?
C109 N101 C102 C103 161.7(8) . . . . ?
Mn1 N101 C102 C103 47.5(9) . . . . ?
N101 C102 C103 C104 151.1(6) . . . . ?
N101 C102 C103 N108 -31.7(10) . . . . ?
N108 C103 C104 C105 0.0 . . . . ?
C102 C103 C104 C105 177.1(8) . . . . ?
C103 C104 C105 C106 0.0 . . . . ?
C104 C105 C106 C107 0.0 . . . . ?
C105 C106 C107 N108 0.0 . . . . ?
C106 C107 N108 C103 0.0 . . . . ?
C106 C107 N108 Mn1 -173.4(5) . . . . ?
C104 C103 N108 C107 0.0 . . . . ?
C102 C103 N108 C107 -177.3(7) . . . . ?
C104 C103 N108 Mn1 174.1(4) . . . . ?
C102 C103 N108 Mn1 -3.3(7) . . . . ?
O229 Mn1 N108 C107 17.0(4) . . . . ?
O128 Mn1 N108 C107 -75.8(8) . . . . ?
N115 Mn1 N108 C107 133.4(4) . . . . ?
N101 Mn1 N108 C107 -163.8(4) . . . . ?
N118 Mn1 N108 C107 -85.8(4) . . . . ?
O229 Mn1 N108 C103 -156.7(4) . . . . ?
O128 Mn1 N108 C103 110.5(7) . . . . ?
N115 Mn1 N108 C103 -40.3(4) . . . . ?
N101 Mn1 N108 C103 22.5(3) . . . . ?
N118 Mn1 N108 C103 100.5(4) . . . . ?
C116 N101 C109 C110 162.1(8) . . . . ?
C102 N101 C109 C110 -70.4(11) . . . . ?
Mn1 N101 C109 C110 41.2(10) . . . . ?
N101 C109 C110 C111 157.8(6) . . . . ?
N101 C109 C110 N115 -33.5(11) . . . . ?
N115 C110 C111 C112 0.0 . . . . ?
C109 C110 C111 C112 168.3(8) . . . . ?
C110 C111 C112 C113 0.0 . . . . ?
C111 C112 C113 C114 0.0 . . . . ?
C112 C113 C114 N115 0.0 . . . . ?
C113 C114 N115 C110 0.0 . . . . ?
C113 C114 N115 Mn1 -175.5(4) . . . . ?
C111 C110 N115 C114 0.0 . . . . ?
C109 C110 N115 C114 -169.2(7) . . . . ?
C111 C110 N115 Mn1 175.9(4) . . . . ?
C109 C110 N115 Mn1 6.7(7) . . . . ?
O229 Mn1 N115 C114 -8.0(4) . . . . ?
O128 Mn1 N115 C114 79.7(4) . . . . ?
N108 Mn1 N115 C114 -110.2(4) . . . . ?
N101 Mn1 N115 C114 -172.3(4) . . . . ?
N118 Mn1 N115 C114 134.9(4) . . . . ?
O229 Mn1 N115 C110 176.3(3) . . . . ?
O128 Mn1 N115 C110 -96.0(4) . . . . ?
N108 Mn1 N115 C110 74.0(4) . . . . ?
N101 Mn1 N115 C110 12.0(4) . . . . ?
N118 Mn1 N115 C110 -40.8(5) . . . . ?
C109 N101 C116 C117 -84.3(10) . . . . ?
C102 N101 C116 C117 149.3(8) . . . . ?
Mn1 N101 C116 C117 35.3(10) . . . . ?
N101 C116 C117 N118 -61.1(10) . . . . ?
C116 C117 N118 C126 161.5(8) . . . . ?
C116 C117 N118 C119 -77.5(10) . . . . ?
C116 C117 N118 Mn1 49.2(7) . . . . ?
O229 Mn1 N118 C126 58.3(6) . . . . ?
O128 Mn1 N118 C126 -28.4(5) . . . . ?
N115 Mn1 N118 C126 -87.1(6) . . . . ?
N108 Mn1 N118 C126 147.9(6) . . . . ?
N101 Mn1 N118 C126 -138.8(6) . . . . ?
O229 Mn1 N118 C117 172.8(5) . . . . ?
O128 Mn1 N118 C117 86.1(5) . . . . ?
N115 Mn1 N118 C117 27.4(7) . . . . ?
N108 Mn1 N118 C117 -97.6(5) . . . . ?
N101 Mn1 N118 C117 -24.3(5) . . . . ?
O229 Mn1 N118 C119 -65.7(7) . . . . ?
O128 Mn1 N118 C119 -152.4(7) . . . . ?
N115 Mn1 N118 C119 148.9(6) . . . . ?
N108 Mn1 N118 C119 23.9(7) . . . . ?
N101 Mn1 N118 C119 97.2(7) . . . . ?
C126 N118 C119 C120 60.2(11) . . . . ?
C117 N118 C119 C120 -60.1(11) . . . . ?
Mn1 N118 C119 C120 -177.8(6) . . . . ?
N118 C119 C120 C121 -87.9(9) . . . . ?
N118 C119 C120 C125 89.5(9) . . . . ?
C125 C120 C121 C122 0.0 . . . . ?
C119 C120 C121 C122 177.4(8) . . . . ?
C120 C121 C122 C123 0.0 . . . . ?
C121 C122 C123 C124 0.0 . . . . ?
C122 C123 C124 C125 0.0 . . . . ?
C123 C124 C125 C120 0.0 . . . . ?
C121 C120 C125 C124 0.0 . . . . ?
C119 C120 C125 C124 -177.5(7) . . . . ?
C117 N118 C126 C127 -80.9(9) . . . . ?
C119 N118 C126 C127 158.2(8) . . . . ?
Mn1 N118 C126 C127 29.4(8) . . . . ?
N118 C126 C127 O128 -12.0(13) . . . . ?
N118 C126 C127 O129 172.0(8) . . . . ?
O129 C127 O128 Mn1 158.0(8) . . . . ?
C126 C127 O128 Mn1 -16.9(12) . . . . ?
O229 Mn1 O128 C127 -77.3(8) . . . . ?
N115 Mn1 O128 C127 169.0(8) . . . . ?
N108 Mn1 O128 C127 15.4(12) . . . . ?
N101 Mn1 O128 C127 97.5(8) . . . . ?
N118 Mn1 O128 C127 25.9(7) . . . . ?
O128 C127 O129 Mn3 9.7(16) . . . . ?
C126 C127 O129 Mn3 -174.9(6) . . . . ?
O429 Mn2 N201 C216 113.9(9) . . . . ?
O228 Mn2 N201 C216 -77.3(6) . . . . ?
N215 Mn2 N201 C216 -156.9(7) . . . . ?
N208 Mn2 N201 C216 94.2(6) . . . . ?
N218 Mn2 N201 C216 -7.2(6) . . . . ?
O429 Mn2 N201 C202 -7.4(12) . . . . ?
O228 Mn2 N201 C202 161.4(6) . . . . ?
N215 Mn2 N201 C202 81.9(6) . . . . ?
N208 Mn2 N201 C202 -27.0(6) . . . . ?
N218 Mn2 N201 C202 -128.4(7) . . . . ?
O429 Mn2 N201 C209 -126.2(9) . . . . ?
O228 Mn2 N201 C209 42.6(6) . . . . ?
N215 Mn2 N201 C209 -36.9(6) . . . . ?
N208 Mn2 N201 C209 -145.9(6) . . . . ?
N218 Mn2 N201 C209 112.8(6) . . . . ?
C216 N201 C202 C203 -78.0(9) . . . . ?
C209 N201 C202 C203 154.7(8) . . . . ?
Mn2 N201 C202 C203 40.7(9) . . . . ?
N201 C202 C203 C204 152.3(6) . . . . ?
N201 C202 C203 N208 -34.7(10) . . . . ?
N208 C203 C204 C205 0.0 . . . . ?
C202 C203 C204 C205 172.8(8) . . . . ?
C203 C204 C205 C206 0.0 . . . . ?
C204 C205 C206 C207 0.0 . . . . ?
C205 C206 C207 N208 0.0 . . . . ?
C206 C207 N208 C203 0.0 . . . . ?
C206 C207 N208 Mn2 176.4(5) . . . . ?
C204 C203 N208 C207 0.0 . . . . ?
C202 C203 N208 C207 -173.2(8) . . . . ?
C204 C203 N208 Mn2 -176.8(4) . . . . ?
C202 C203 N208 Mn2 10.1(7) . . . . ?
O429 Mn2 N208 C207 20.2(4) . . . . ?
O228 Mn2 N208 C207 -117.2(13) . . . . ?
N215 Mn2 N208 C207 125.3(4) . . . . ?
N201 Mn2 N208 C207 -166.9(5) . . . . ?
N218 Mn2 N208 C207 -90.8(4) . . . . ?
O429 Mn2 N208 C203 -163.2(4) . . . . ?
O228 Mn2 N208 C203 59.4(14) . . . . ?
N215 Mn2 N208 C203 -58.1(4) . . . . ?
N201 Mn2 N208 C203 9.7(4) . . . . ?
N218 Mn2 N208 C203 85.7(4) . . . . ?
C216 N201 C209 C210 164.9(8) . . . . ?
C202 N201 C209 C210 -68.6(11) . . . . ?
Mn2 N201 C209 C210 48.9(9) . . . . ?
N201 C209 C210 C211 149.8(6) . . . . ?
N201 C209 C210 N215 -32.5(11) . . . . ?
N215 C210 C211 C212 0.0 . . . . ?
C209 C210 C211 C212 177.7(9) . . . . ?
C210 C211 C212 C213 0.0 . . . . ?
C211 C212 C213 C214 0.0 . . . . ?
C212 C213 C214 N215 0.0 . . . . ?
C213 C214 N215 C210 0.0 . . . . ?
C213 C214 N215 Mn2 -174.0(5) . . . . ?
C211 C210 N215 C214 0.0 . . . . ?
C209 C210 N215 C214 -177.8(8) . . . . ?
C211 C210 N215 Mn2 174.7(4) . . . . ?
C209 C210 N215 Mn2 -3.2(7) . . . . ?
O429 Mn2 N215 C214 -4.6(5) . . . . ?
O228 Mn2 N215 C214 96.0(4) . . . . ?
N208 Mn2 N215 C214 -93.8(4) . . . . ?
N201 Mn2 N215 C214 -162.2(5) . . . . ?
N218 Mn2 N215 C214 148.9(4) . . . . ?
O429 Mn2 N215 C210 -178.9(4) . . . . ?
O228 Mn2 N215 C210 -78.3(4) . . . . ?
N208 Mn2 N215 C210 91.9(4) . . . . ?
N201 Mn2 N215 C210 23.5(4) . . . . ?
N218 Mn2 N215 C210 -25.4(5) . . . . ?
C202 N201 C216 C217 155.1(8) . . . . ?
C209 N201 C216 C217 -78.6(11) . . . . ?
Mn2 N201 C216 C217 35.2(10) . . . . ?
N201 C216 C217 N218 -58.0(11) . . . . ?
C216 C217 N218 C226 157.0(7) . . . . ?
C216 C217 N218 C219 -77.2(9) . . . . ?
C216 C217 N218 Mn2 45.2(8) . . . . ?
O429 Mn2 N218 C226 64.8(6) . . . . ?
O228 Mn2 N218 C226 -31.6(5) . . . . ?
N215 Mn2 N218 C226 -87.7(6) . . . . ?
N208 Mn2 N218 C226 153.5(5) . . . . ?
N201 Mn2 N218 C226 -134.9(6) . . . . ?
O429 Mn2 N218 C219 -57.3(7) . . . . ?
O228 Mn2 N218 C219 -153.7(6) . . . . ?
N215 Mn2 N218 C219 150.3(6) . . . . ?
N208 Mn2 N218 C219 31.4(6) . . . . ?
N201 Mn2 N218 C219 103.1(6) . . . . ?
O429 Mn2 N218 C217 179.8(5) . . . . ?
O228 Mn2 N218 C217 83.4(5) . . . . ?
N215 Mn2 N218 C217 27.3(7) . . . . ?
N208 Mn2 N218 C217 -91.6(5) . . . . ?
N201 Mn2 N218 C217 -19.9(5) . . . . ?
C226 N218 C219 C220 55.7(10) . . . . ?
C217 N218 C219 C220 -68.7(10) . . . . ?
Mn2 N218 C219 C220 173.8(6) . . . . ?
N218 C219 C220 C221 -91.4(8) . . . . ?
N218 C219 C220 C225 89.2(8) . . . . ?
C225 C220 C221 C222 0.0 . . . . ?
C219 C220 C221 C222 -179.3(7) . . . . ?
C220 C221 C222 C223 0.0 . . . . ?
C221 C222 C223 C224 0.0 . . . . ?
C222 C223 C224 C225 0.0 . . . . ?
C223 C224 C225 C220 0.0 . . . . ?
C221 C220 C225 C224 0.0 . . . . ?
C219 C220 C225 C224 179.3(7) . . . . ?
C219 N218 C226 C227 158.6(7) . . . . ?
C217 N218 C226 C227 -74.9(9) . . . . ?
Mn2 N218 C226 C227 36.2(8) . . . . ?
N218 C226 C227 O228 -19.3(12) . . . . ?
N218 C226 C227 O229 157.6(8) . . . . ?
O229 C227 O228 Mn2 171.1(7) . . . . ?
C226 C227 O228 Mn2 -12.0(11) . . . . ?
O429 Mn2 O228 C227 -84.0(7) . . . . ?
N215 Mn2 O228 C227 171.6(7) . . . . ?
N208 Mn2 O228 C227 52.4(16) . . . . ?
N201 Mn2 O228 C227 100.2(7) . . . . ?
N218 Mn2 O228 C227 24.9(6) . . . . ?
O228 C227 O229 Mn1 3.3(11) . . . . ?
C226 C227 O229 Mn1 -173.5(6) . . . . ?
O128 Mn1 O229 C227 -130.6(6) . . . . ?
N115 Mn1 O229 C227 -48.1(7) . . . . ?
N108 Mn1 O229 C227 70.0(6) . . . . ?
N101 Mn1 O229 C227 67.2(12) . . . . ?
N118 Mn1 O229 C227 157.4(6) . . . . ?
C127 O129 Mn3 O328 -44.9(8) . . . . ?
C127 O129 Mn3 N315 -130.8(7) . . . . ?
C127 O129 Mn3 N308 128.3(8) . . . . ?
C127 O129 Mn3 N301 145.9(9) . . . . ?
C127 O129 Mn3 N318 31.0(8) . . . . ?
O129 Mn3 N301 C309 125.2(9) . . . . ?
O328 Mn3 N301 C309 -44.1(7) . . . . ?
N315 Mn3 N301 C309 35.8(6) . . . . ?
N308 Mn3 N301 C309 143.6(7) . . . . ?
N318 Mn3 N301 C309 -114.7(7) . . . . ?
O129 Mn3 N301 C302 6.6(12) . . . . ?
O328 Mn3 N301 C302 -162.7(6) . . . . ?
N315 Mn3 N301 C302 -82.8(6) . . . . ?
N308 Mn3 N301 C302 25.0(6) . . . . ?
N318 Mn3 N301 C302 126.7(6) . . . . ?
O129 Mn3 N301 C316 -112.5(9) . . . . ?
O328 Mn3 N301 C316 78.2(6) . . . . ?
N315 Mn3 N301 C316 158.1(6) . . . . ?
N308 Mn3 N301 C316 -94.0(6) . . . . ?
N318 Mn3 N301 C316 7.6(6) . . . . ?
C309 N301 C302 C303 -156.4(9) . . . . ?
C316 N301 C302 C303 77.8(10) . . . . ?
Mn3 N301 C302 C303 -39.3(10) . . . . ?
N301 C302 C303 C304 -151.1(7) . . . . ?
N301 C302 C303 N308 32.4(11) . . . . ?
N308 C303 C304 C305 0.0 . . . . ?
C302 C303 C304 C305 -176.3(8) . . . . ?
C303 C304 C305 C306 0.0 . . . . ?
C304 C305 C306 C307 0.0 . . . . ?
C305 C306 C307 N308 0.0 . . . . ?
C306 C307 N308 C303 0.0 . . . . ?
C306 C307 N308 Mn3 -174.9(4) . . . . ?
C304 C303 N308 C307 0.0 . . . . ?
C302 C303 N308 C307 176.6(8) . . . . ?
C304 C303 N308 Mn3 175.3(4) . . . . ?
C302 C303 N308 Mn3 -8.1(7) . . . . ?
O129 Mn3 N308 C307 -21.5(4) . . . . ?
O328 Mn3 N308 C307 119.6(13) . . . . ?
N315 Mn3 N308 C307 -127.1(4) . . . . ?
N301 Mn3 N308 C307 164.8(4) . . . . ?
N318 Mn3 N308 C307 88.6(4) . . . . ?
O129 Mn3 N308 C303 163.4(4) . . . . ?
O328 Mn3 N308 C303 -55.5(14) . . . . ?
N315 Mn3 N308 C303 57.8(4) . . . . ?
N301 Mn3 N308 C303 -10.3(4) . . . . ?
N318 Mn3 N308 C303 -86.5(4) . . . . ?
C302 N301 C309 C310 71.2(10) . . . . ?
C316 N301 C309 C310 -164.8(8) . . . . ?
Mn3 N301 C309 C310 -46.4(9) . . . . ?
N301 C309 C310 C311 -149.5(6) . . . . ?
N301 C309 C310 N315 31.2(10) . . . . ?
N315 C310 C311 C312 0.0 . . . . ?
C309 C310 C311 C312 -179.3(8) . . . . ?
C310 C311 C312 C313 0.0 . . . . ?
C311 C312 C313 C314 0.0 . . . . ?
C312 C313 C314 N315 0.0 . . . . ?
C313 C314 N315 C310 0.0 . . . . ?
C313 C314 N315 Mn3 177.6(5) . . . . ?
C311 C310 N315 C314 0.0 . . . . ?
C309 C310 N315 C314 179.3(7) . . . . ?
C311 C310 N315 Mn3 -177.9(4) . . . . ?
C309 C310 N315 Mn3 1.4(7) . . . . ?
O129 Mn3 N315 C314 3.3(4) . . . . ?
O328 Mn3 N315 C314 -96.4(4) . . . . ?
N308 Mn3 N315 C314 93.5(4) . . . . ?
N301 Mn3 N315 C314 162.0(4) . . . . ?
N318 Mn3 N315 C314 -149.7(4) . . . . ?
O129 Mn3 N315 C310 -178.9(3) . . . . ?
O328 Mn3 N315 C310 81.4(3) . . . . ?
N308 Mn3 N315 C310 -88.7(3) . . . . ?
N301 Mn3 N315 C310 -20.2(3) . . . . ?
N318 Mn3 N315 C310 28.1(5) . . . . ?
C309 N301 C316 C317 82.6(10) . . . . ?
C302 N301 C316 C317 -153.7(8) . . . . ?
Mn3 N301 C316 C317 -35.9(9) . . . . ?
N301 C316 C317 N318 58.8(11) . . . . ?
C316 C317 N318 C326 -161.4(8) . . . . ?
C316 C317 N318 C319 77.7(10) . . . . ?
C316 C317 N318 Mn3 -47.2(9) . . . . ?
O129 Mn3 N318 C326 -63.5(6) . . . . ?
O328 Mn3 N318 C326 32.5(5) . . . . ?
N315 Mn3 N318 C326 88.8(6) . . . . ?
N308 Mn3 N318 C326 -153.3(5) . . . . ?
N301 Mn3 N318 C326 135.4(6) . . . . ?
O129 Mn3 N318 C317 -178.7(5) . . . . ?
O328 Mn3 N318 C317 -82.8(6) . . . . ?
N315 Mn3 N318 C317 -26.5(7) . . . . ?
N308 Mn3 N318 C317 91.4(6) . . . . ?
N301 Mn3 N318 C317 20.1(6) . . . . ?
O129 Mn3 N318 C319 58.1(6) . . . . ?
O328 Mn3 N318 C319 154.1(6) . . . . ?
N315 Mn3 N318 C319 -149.6(5) . . . . ?
N308 Mn3 N318 C319 -31.7(6) . . . . ?
N301 Mn3 N318 C319 -103.0(6) . . . . ?
C326 N318 C319 C320 -56.9(10) . . . . ?
C317 N318 C319 C320 63.7(10) . . . . ?
Mn3 N318 C319 C320 -177.2(6) . . . . ?
N318 C319 C320 C321 93.9(8) . . . . ?
N318 C319 C320 C325 -86.2(8) . . . . ?
C325 C320 C321 C322 0.0 . . . . ?
C319 C320 C321 C322 179.8(6) . . . . ?
C320 C321 C322 C323 0.0 . . . . ?
C321 C322 C323 C324 0.0 . . . . ?
C322 C323 C324 C325 0.0 . . . . ?
C323 C324 C325 C320 0.0 . . . . ?
C321 C320 C325 C324 0.0 . . . . ?
C319 C320 C325 C324 -179.8(7) . . . . ?
C317 N318 C326 C327 73.6(10) . . . . ?
C319 N318 C326 C327 -163.9(8) . . . . ?
Mn3 N318 C326 C327 -38.9(9) . . . . ?
N318 C326 C327 O329 -158.9(9) . . . . ?
N318 C326 C327 O328 23.4(12) . . . . ?
O329 C327 O328 Mn3 -170.4(7) . . . . ?
C326 C327 O328 Mn3 7.2(11) . . . . ?
O129 Mn3 O328 C327 85.6(7) . . . . ?
N315 Mn3 O328 C327 -169.6(6) . . . . ?
N308 Mn3 O328 C327 -54.7(16) . . . . ?
N301 Mn3 O328 C327 -98.2(6) . . . . ?
N318 Mn3 O328 C327 -22.4(6) . . . . ?
O328 C327 O329 Mn4 -3.9(12) . . . . ?
C326 C327 O329 Mn4 178.6(7) . . . . ?
C327 O329 Mn4 O428 130.0(7) . . . . ?
C327 O329 Mn4 N408 -71.3(7) . . . . ?
C327 O329 Mn4 N415 47.2(7) . . . . ?
C327 O329 Mn4 N401 -61.3(12) . . . . ?
C327 O329 Mn4 N418 -157.7(7) . . . . ?
O329 Mn4 N401 C402 22.6(14) . . . . ?
O428 Mn4 N401 C402 -169.3(7) . . . . ?
N408 Mn4 N401 C402 33.1(7) . . . . ?
N415 Mn4 N401 C402 -92.5(8) . . . . ?
N418 Mn4 N401 C402 122.9(8) . . . . ?
O329 Mn4 N401 C409 144.6(9) . . . . ?
O428 Mn4 N401 C409 -47.3(7) . . . . ?
N408 Mn4 N401 C409 155.1(7) . . . . ?
N415 Mn4 N401 C409 29.5(6) . . . . ?
N418 Mn4 N401 C409 -115.1(7) . . . . ?
O329 Mn4 N401 C416 -96.6(11) . . . . ?
O428 Mn4 N401 C416 71.5(6) . . . . ?
N408 Mn4 N401 C416 -86.1(6) . . . . ?
N415 Mn4 N401 C416 148.3(6) . . . . ?
N418 Mn4 N401 C416 3.7(6) . . . . ?
C409 N401 C402 C403 -161.8(9) . . . . ?
C416 N401 C402 C403 76.0(11) . . . . ?
Mn4 N401 C402 C403 -40.5(11) . . . . ?
N401 C402 C403 C404 -156.1(7) . . . . ?
N401 C402 C403 N408 22.2(12) . . . . ?
N408 C403 C404 C405 0.0 . . . . ?
C402 C403 C404 C405 178.2(9) . . . . ?
C403 C404 C405 C406 0.0 . . . . ?
C404 C405 C406 C407 0.0 . . . . ?
C405 C406 C407 N408 0.0 . . . . ?
C406 C407 N408 C403 0.0 . . . . ?
C406 C407 N408 Mn4 173.2(4) . . . . ?
C404 C403 N408 C407 0.0 . . . . ?
C402 C403 N408 C407 -178.4(8) . . . . ?
C404 C403 N408 Mn4 -173.7(4) . . . . ?
C402 C403 N408 Mn4 7.9(7) . . . . ?
O329 Mn4 N408 C407 -18.4(4) . . . . ?
O428 Mn4 N408 C407 73.8(7) . . . . ?
N415 Mn4 N408 C407 -135.4(3) . . . . ?
N401 Mn4 N408 C407 165.0(4) . . . . ?
N418 Mn4 N408 C407 84.8(4) . . . . ?
O329 Mn4 N408 C403 155.1(3) . . . . ?
O428 Mn4 N408 C403 -112.7(6) . . . . ?
N415 Mn4 N408 C403 38.0(4) . . . . ?
N401 Mn4 N408 C403 -21.6(4) . . . . ?
N418 Mn4 N408 C403 -101.7(3) . . . . ?
C402 N401 C409 C410 80.8(11) . . . . ?
C416 N401 C409 C410 -157.3(8) . . . . ?
Mn4 N401 C409 C410 -41.6(10) . . . . ?
N401 C409 C410 C411 -155.1(6) . . . . ?
N401 C409 C410 N415 30.2(11) . . . . ?
N415 C410 C411 C412 0.0 . . . . ?
C409 C410 C411 C412 -174.5(8) . . . . ?
C410 C411 C412 C413 0.0 . . . . ?
C411 C412 C413 C414 0.0 . . . . ?
C412 C413 C414 N415 0.0 . . . . ?
C413 C414 N415 C410 0.0 . . . . ?
C413 C414 N415 Mn4 177.7(4) . . . . ?
C411 C410 N415 C414 0.0 . . . . ?
C409 C410 N415 C414 174.9(8) . . . . ?
C411 C410 N415 Mn4 -177.8(4) . . . . ?
C409 C410 N415 Mn4 -2.9(7) . . . . ?
O329 Mn4 N415 C414 5.7(4) . . . . ?
O428 Mn4 N415 C414 -81.9(4) . . . . ?
N408 Mn4 N415 C414 108.4(4) . . . . ?
N401 Mn4 N415 C414 167.2(5) . . . . ?
N418 Mn4 N415 C414 -138.4(4) . . . . ?
O329 Mn4 N415 C410 -176.5(3) . . . . ?
O428 Mn4 N415 C410 95.8(4) . . . . ?
N408 Mn4 N415 C410 -73.9(4) . . . . ?
N401 Mn4 N415 C410 -15.0(4) . . . . ?
N418 Mn4 N415 C410 39.3(5) . . . . ?
C402 N401 C416 C417 -155.0(9) . . . . ?
C409 N401 C416 C417 82.8(10) . . . . ?
Mn4 N401 C416 C417 -35.0(9) . . . . ?
N401 C416 C417 N418 65.9(10) . . . . ?
C416 C417 N418 C426 -165.5(8) . . . . ?
C416 C417 N418 C419 73.5(11) . . . . ?
C416 C417 N418 Mn4 -55.2(8) . . . . ?
O329 Mn4 N418 C417 -171.4(6) . . . . ?
O428 Mn4 N418 C417 -84.9(6) . . . . ?
N408 Mn4 N418 C417 99.3(6) . . . . ?
N415 Mn4 N418 C417 -24.7(7) . . . . ?
N401 Mn4 N418 C417 27.4(6) . . . . ?
O329 Mn4 N418 C426 -58.3(7) . . . . ?
O428 Mn4 N418 C426 28.2(6) . . . . ?
N408 Mn4 N418 C426 -147.7(6) . . . . ?
N415 Mn4 N418 C426 88.3(7) . . . . ?
N401 Mn4 N418 C426 140.5(7) . . . . ?
O329 Mn4 N418 C419 64.1(7) . . . . ?
O428 Mn4 N418 C419 150.6(7) . . . . ?
N408 Mn4 N418 C419 -25.3(7) . . . . ?
N415 Mn4 N418 C419 -149.2(6) . . . . ?
N401 Mn4 N418 C419 -97.1(7) . . . . ?
C417 N418 C419 C420 63.9(11) . . . . ?
C426 N418 C419 C420 -57.1(10) . . . . ?
Mn4 N418 C419 C420 -177.6(5) . . . . ?
N418 C419 C420 C421 93.7(8) . . . . ?
N418 C419 C420 C425 -83.4(9) . . . . ?
C425 C420 C421 C422 0.0 . . . . ?
C419 C420 C421 C422 -177.2(7) . . . . ?
C420 C421 C422 C423 0.0 . . . . ?
C421 C422 C423 C424 0.0 . . . . ?
C422 C423 C424 C425 0.0 . . . . ?
C423 C424 C425 C420 0.0 . . . . ?
C421 C420 C425 C424 0.0 . . . . ?
C419 C420 C425 C424 177.1(7) . . . . ?
C417 N418 C426 C427 81.2(11) . . . . ?
C419 N418 C426 C427 -155.3(9) . . . . ?
Mn4 N418 C426 C427 -26.4(11) . . . . ?
N418 C426 C427 O429 -161.3(10) . . . . ?
N418 C426 C427 O428 3.0(13) . . . . ?
O429 C427 O428 Mn4 -167.5(7) . . . . ?
C426 C427 O428 Mn4 26.4(10) . . . . ?
O329 Mn4 O428 C427 72.6(6) . . . . ?
N408 Mn4 O428 C427 -19.5(10) . . . . ?
N415 Mn4 O428 C427 -173.2(6) . . . . ?
N401 Mn4 O428 C427 -103.6(6) . . . . ?
N418 Mn4 O428 C427 -31.0(6) . . . . ?
O428 C427 O429 Mn2 8.9(16) . . . . ?
C426 C427 O429 Mn2 172.6(8) . . . . ?
O228 Mn2 O429 C427 33.0(12) . . . . ?
N215 Mn2 O429 C427 118.8(11) . . . . ?
N208 Mn2 O429 C427 -139.4(11) . . . . ?
N201 Mn2 O429 C427 -158.3(10) . . . . ?
N218 Mn2 O429 C427 -42.8(12) . . . . ?
