#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:27:11 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179111 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/73/4307397.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_4307397
loop_
_publ_author_name
'Fu-Chen Liu'
'Yong-Fei Zeng'
'Jiong-Peng Zhao'
'Bo-Wen Hu'
'Xian-He Bu'
'Joan Ribas'
'Joan Cano'
_publ_section_title
;
An Unusual 1D Manganese Azido Complex with Novel EO/EO/EO/EE Coordination
Mode: Synthesis, Structure, and Magnetic Properties
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1520
_journal_page_last               1522
_journal_paper_doi               10.1021/ic061892s
_journal_volume                  46
_journal_year                    2007
_chemical_formula_sum            'C24 H16 Mn2 N16'
_chemical_formula_weight         638.41
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                94.593(4)
_cell_angle_beta                 107.180(4)
_cell_angle_gamma                116.760(3)
_cell_formula_units_Z            2
_cell_length_a                   10.286(2)
_cell_length_b                   11.324(3)
_cell_length_c                   13.701(3)
_cell_measurement_temperature    294(2)
_cell_volume                     1318.2(5)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_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      294(2)
_diffrn_measured_fraction_theta_full 0.975
_diffrn_measured_fraction_theta_max 0.975
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0249
_diffrn_reflns_av_sigmaI/netI    0.0598
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            7340
_diffrn_reflns_theta_full        26.33
_diffrn_reflns_theta_max         26.33
_diffrn_reflns_theta_min         1.61
_exptl_absorpt_coefficient_mu    1.007
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.608
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             644
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.12
_refine_diff_density_max         1.368
_refine_diff_density_min         -0.352
_refine_diff_density_rms         0.083
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.016
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     379
_refine_ls_number_reflns         5217
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.016
_refine_ls_R_factor_all          0.0885
_refine_ls_R_factor_gt           0.0506
_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)+(0.0701P)²+1.1394P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1263
_refine_ls_wR_factor_ref         0.1476
_reflns_number_gt                3410
_reflns_number_total             5217
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic061892ssi20061209_101246.cif
_cod_data_source_block           1
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'NONE' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_cell_volume        1318.3(5)
_cod_database_code               4307397
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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
Mn1 Mn 0.22928(7) 0.31560(6) 0.33952(5) 0.0370(2) Uani 1 1 d . . .
Mn2 Mn 0.16703(6) 0.10324(6) 0.11279(4) 0.02758(18) Uani 1 1 d . . .
N1 N 0.1298(4) 0.4578(4) 0.3464(3) 0.0419(9) Uani 1 1 d . . .
N2 N 0.0037(4) 0.1988(4) 0.3674(3) 0.0393(8) Uani 1 1 d . . .
N3 N 0.2854(4) -0.0245(3) 0.1204(3) 0.0312(7) Uani 1 1 d . . .
N4 N 0.4098(4) 0.2407(3) 0.1142(3) 0.0321(8) Uani 1 1 d . . .
N5 N 0.1293(4) 0.2716(3) 0.1589(3) 0.0349(8) Uani 1 1 d . . .
N6 N 0.1215(4) 0.3517(4) 0.1098(3) 0.0423(9) Uani 1 1 d . . .
N7 N 0.1110(7) 0.4261(5) 0.0615(4) 0.0850(17) Uani 1 1 d . . .
N8 N 0.2366(4) 0.1324(4) 0.2886(3) 0.0412(9) Uani 1 1 d . . .
N9 N 0.2886(4) 0.0726(4) 0.3398(3) 0.0436(9) Uani 1 1 d . . .
N10 N 0.3419(6) 0.0154(5) 0.3874(4) 0.0772(15) Uani 1 1 d . . .
N11 N 0.4494(5) 0.4886(5) 0.3454(4) 0.0658(13) Uani 1 1 d . . .
N12 N 0.5513(5) 0.5767(4) 0.4180(3) 0.0487(10) Uani 1 1 d . . .
N13 N 0.6564(5) 0.6646(4) 0.4882(3) 0.0687(13) Uani 1 1 d . . .
N14 N -0.0677(4) -0.0773(3) 0.0634(3) 0.0373(8) Uani 1 1 d . . .
N15 N -0.1244(4) -0.1421(3) 0.1183(3) 0.0390(8) Uani 1 1 d . . .
N16 N -0.1810(6) -0.2043(5) 0.1707(4) 0.0762(15) Uani 1 1 d . . .
C1 C 0.1909(7) 0.5836(5) 0.3340(4) 0.0596(14) Uani 1 1 d . . .
H1A H 0.2857 0.6204 0.3240 0.071 Uiso 1 1 calc R . .
C2 C 0.1211(9) 0.6632(6) 0.3350(5) 0.0747(18) Uani 1 1 d . . .
H2A H 0.1676 0.7508 0.3250 0.090 Uiso 1 1 calc R . .
C3 C -0.0151(8) 0.6119(6) 0.3508(4) 0.0704(17) Uani 1 1 d . . .
H3A H -0.0623 0.6649 0.3525 0.085 Uiso 1 1 calc R . .
C4 C -0.2287(7) 0.4161(7) 0.3812(4) 0.0711(18) Uani 1 1 d . . .
H4A H -0.2816 0.4641 0.3829 0.085 Uiso 1 1 calc R . .
C5 C -0.2896(7) 0.2896(7) 0.3947(4) 0.0710(18) Uani 1 1 d . . .
H5A H -0.3832 0.2521 0.4063 0.085 Uiso 1 1 calc R . .
C6 C -0.2708(6) 0.0777(7) 0.4059(4) 0.0665(16) Uani 1 1 d . . .
H6A H -0.3623 0.0365 0.4198 0.080 Uiso 1 1 calc R . .
C7 C -0.1935(7) 0.0094(6) 0.3995(4) 0.0677(16) Uani 1 1 d . . .
H7A H -0.2315 -0.0789 0.4087 0.081 Uiso 1 1 calc R . .
C8 C -0.0562(6) 0.0724(5) 0.3789(4) 0.0526(12) Uani 1 1 d . . .
H8A H -0.0048 0.0240 0.3731 0.063 Uiso 1 1 calc R . .
C9 C -0.0067(5) 0.4052(5) 0.3619(3) 0.0418(11) Uani 1 1 d . . .
C10 C -0.0725(5) 0.2688(5) 0.3750(3) 0.0425(11) Uani 1 1 d . . .
C11 C -0.0869(6) 0.4786(6) 0.3646(3) 0.0551(14) Uani 1 1 d . . .
C12 C -0.2138(5) 0.2099(6) 0.3918(3) 0.0526(13) Uani 1 1 d . . .
C13 C 0.2265(5) -0.1528(4) 0.1257(3) 0.0417(10) Uani 1 1 d . . .
H13A H 0.1238 -0.1992 0.1227 0.050 Uiso 1 1 calc R . .
C14 C 0.3095(7) -0.2223(5) 0.1355(4) 0.0557(13) Uani 1 1 d . . .
H14B H 0.2628 -0.3133 0.1383 0.067 Uiso 1 1 calc R . .
C15 C 0.4585(7) -0.1561(6) 0.1409(4) 0.0546(14) Uani 1 1 d . . .
H15A H 0.5165 -0.2008 0.1497 0.065 Uiso 1 1 calc R . .
C16 C 0.6803(6) 0.0528(6) 0.1321(4) 0.0566(15) Uani 1 1 d . . .
H16A H 0.7408 0.0108 0.1369 0.068 Uiso 1 1 calc R . .
C17 C 0.7389(5) 0.1828(6) 0.1236(4) 0.0548(14) Uani 1 1 d . . .
H17A H 0.8391 0.2286 0.1221 0.066 Uiso 1 1 calc R . .
C18 C 0.7061(5) 0.3853(5) 0.1074(4) 0.0527(13) Uani 1 1 d . . .
H18A H 0.8042 0.4339 0.1031 0.063 Uiso 1 1 calc R . .
C19 C 0.6171(6) 0.4450(5) 0.1044(4) 0.0549(13) Uani 1 1 d . . .
H19A H 0.6539 0.5350 0.0993 0.066 Uiso 1 1 calc R . .
C20 C 0.4702(5) 0.3694(4) 0.1089(4) 0.0447(11) Uani 1 1 d . . .
H20A H 0.4107 0.4117 0.1081 0.054 Uiso 1 1 calc R . .
C21 C 0.4351(5) 0.0420(4) 0.1250(3) 0.0321(9) Uani 1 1 d . . .
C22 C 0.5006(4) 0.1825(4) 0.1189(3) 0.0311(9) Uani 1 1 d . . .
C23 C 0.5268(5) -0.0211(5) 0.1336(3) 0.0420(11) Uani 1 1 d . . .
C24 C 0.6513(5) 0.2519(5) 0.1170(3) 0.0415(11) Uani 1 1 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'
Mn Mn 0.3368 0.7283 '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
N8 Mn1 N11 105.92(16) . . ?
N8 Mn1 N13 93.97(16) . 2_666 ?
N11 Mn1 N13 89.44(17) . 2_666 ?
N8 Mn1 N2 93.70(14) . . ?
N11 Mn1 N2 159.69(15) . . ?
N13 Mn1 N2 83.92(15) 2_666 . ?
N8 Mn1 N1 158.48(14) . . ?
N11 Mn1 N1 89.51(16) . . ?
N13 Mn1 N1 101.22(16) 2_666 . ?
N2 Mn1 N1 73.09(13) . . ?
N8 Mn1 N5 76.77(13) . . ?
N11 Mn1 N5 90.20(15) . . ?
N13 Mn1 N5 170.25(15) 2_666 . ?
N2 Mn1 N5 99.53(12) . . ?
N1 Mn1 N5 88.52(12) . . ?
N5 Mn2 N14 103.11(13) . . ?
N5 Mn2 N8 77.42(13) . . ?
N14 Mn2 N8 98.63(13) . . ?
N5 Mn2 N14 96.54(13) . 2 ?
N14 Mn2 N14 77.16(14) . 2 ?
N8 Mn2 N14 171.80(13) . 2 ?
N5 Mn2 N4 94.68(13) . . ?
N14 Mn2 N4 158.55(13) . . ?
N8 Mn2 N4 96.84(13) . . ?
N14 Mn2 N4 89.12(12) 2 . ?
N5 Mn2 N3 158.71(12) . . ?
N14 Mn2 N3 92.86(13) . . ?
N8 Mn2 N3 86.43(12) . . ?
N14 Mn2 N3 100.71(12) 2 . ?
N4 Mn2 N3 73.35(12) . . ?
C1 N1 C9 118.2(4) . . ?
C1 N1 Mn1 126.2(3) . . ?
C9 N1 Mn1 115.5(3) . . ?
C8 N2 C10 118.7(4) . . ?
C8 N2 Mn1 125.9(3) . . ?
C10 N2 Mn1 115.4(3) . . ?
C13 N3 C21 117.7(4) . . ?
C13 N3 Mn2 126.8(3) . . ?
C21 N3 Mn2 115.4(3) . . ?
C20 N4 C22 117.1(3) . . ?
C20 N4 Mn2 127.1(3) . . ?
C22 N4 Mn2 115.8(2) . . ?
N6 N5 Mn2 126.7(3) . . ?
N6 N5 Mn1 125.6(3) . . ?
Mn2 N5 Mn1 101.54(14) . . ?
N7 N6 N5 178.5(5) . . ?
N9 N8 Mn1 129.6(3) . . ?
N9 N8 Mn2 125.9(3) . . ?
Mn1 N8 Mn2 103.48(16) . . ?
N10 N9 N8 177.8(5) . . ?
N12 N11 Mn1 128.8(4) . . ?
N13 N12 N11 177.4(5) . . ?
N12 N13 Mn1 134.8(4) . 2_666 ?
N15 N14 Mn2 126.9(3) . . ?
N15 N14 Mn2 130.2(3) . 2 ?
Mn2 N14 Mn2 102.84(14) . 2 ?
N16 N15 N14 178.9(5) . . ?
N1 C1 C2 123.4(6) . . ?
N1 C1 H1A 118.3 . . ?
C2 C1 H1A 118.3 . . ?
C3 C2 C1 119.0(6) . . ?
C3 C2 H2A 120.5 . . ?
C1 C2 H2A 120.5 . . ?
C2 C3 C11 120.7(5) . . ?
C2 C3 H3A 119.7 . . ?
C11 C3 H3A 119.7 . . ?
C5 C4 C11 121.8(5) . . ?
C5 C4 H4A 119.1 . . ?
C11 C4 H4A 119.1 . . ?
C4 C5 C12 121.5(5) . . ?
C4 C5 H5A 119.3 . . ?
C12 C5 H5A 119.3 . . ?
C7 C6 C12 120.2(5) . . ?
C7 C6 H6A 119.9 . . ?
C12 C6 H6A 119.9 . . ?
C6 C7 C8 119.3(6) . . ?
C6 C7 H7A 120.3 . . ?
C8 C7 H7A 120.3 . . ?
N2 C8 C7 122.3(5) . . ?
N2 C8 H8A 118.9 . . ?
C7 C8 H8A 118.9 . . ?
N1 C9 C11 122.7(5) . . ?
N1 C9 C10 117.9(4) . . ?
C11 C9 C10 119.4(4) . . ?
N2 C10 C12 121.9(5) . . ?
N2 C10 C9 118.0(4) . . ?
C12 C10 C9 120.0(4) . . ?
C3 C11 C4 124.9(6) . . ?
C3 C11 C9 116.1(5) . . ?
C4 C11 C9 119.0(5) . . ?
C6 C12 C10 117.5(5) . . ?
C6 C12 C5 124.3(5) . . ?
C10 C12 C5 118.2(5) . . ?
N3 C13 C14 123.4(4) . . ?
N3 C13 H13A 118.3 . . ?
C14 C13 H13A 118.3 . . ?
C15 C14 C13 118.9(5) . . ?
C15 C14 H14B 120.5 . . ?
C13 C14 H14B 120.5 . . ?
C14 C15 C23 120.5(4) . . ?
C14 C15 H15A 119.7 . . ?
C23 C15 H15A 119.7 . . ?
C17 C16 C23 120.8(4) . . ?
C17 C16 H16A 119.6 . . ?
C23 C16 H16A 119.6 . . ?
C16 C17 C24 121.7(4) . . ?
C16 C17 H17A 119.2 . . ?
C24 C17 H17A 119.2 . . ?
C19 C18 C24 120.2(4) . . ?
C19 C18 H18A 119.9 . . ?
C24 C18 H18A 119.9 . . ?
C18 C19 C20 118.7(5) . . ?
C18 C19 H19A 120.7 . . ?
C20 C19 H19A 120.7 . . ?
N4 C20 C19 123.8(5) . . ?
N4 C20 H20A 118.1 . . ?
C19 C20 H20A 118.1 . . ?
N3 C21 C23 122.6(4) . . ?
N3 C21 C22 118.2(3) . . ?
C23 C21 C22 119.3(4) . . ?
N4 C22 C24 123.0(4) . . ?
N4 C22 C21 117.3(3) . . ?
C24 C22 C21 119.7(4) . . ?
C15 C23 C21 116.8(4) . . ?
C15 C23 C16 123.7(4) . . ?
C21 C23 C16 119.5(4) . . ?
C18 C24 C22 117.2(4) . . ?
C18 C24 C17 123.8(4) . . ?
C22 C24 C17 119.0(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
Mn1 N8 2.176(4) . ?
Mn1 N11 2.201(4) . ?
Mn1 N13 2.245(4) 2_666 ?
Mn1 N2 2.263(4) . ?
Mn1 N1 2.273(4) . ?
Mn1 N5 2.296(3) . ?
Mn2 N5 2.191(3) . ?
Mn2 N14 2.199(3) . ?
Mn2 N8 2.251(4) . ?
Mn2 N14 2.261(4) 2 ?
Mn2 N4 2.264(3) . ?
Mn2 N3 2.263(3) . ?
N1 C1 1.322(6) . ?
N1 C9 1.347(6) . ?
N2 C8 1.325(6) . ?
N2 C10 1.359(6) . ?
N3 C13 1.317(5) . ?
N3 C21 1.353(5) . ?
N4 C20 1.320(5) . ?
N4 C22 1.355(5) . ?
N5 N6 1.189(5) . ?
N6 N7 1.135(6) . ?
N8 N9 1.190(5) . ?
N9 N10 1.150(5) . ?
N11 N12 1.169(5) . ?
N12 N13 1.161(5) . ?
N13 Mn1 2.245(4) 2_666 ?
N14 N15 1.186(5) . ?
N14 Mn2 2.261(4) 2 ?
N15 N16 1.144(5) . ?
C1 C2 1.384(8) . ?
C1 H1A 0.9300 . ?
C2 C3 1.347(9) . ?
C2 H2A 0.9300 . ?
C3 C11 1.408(8) . ?
C3 H3A 0.9300 . ?
C4 C5 1.335(9) . ?
C4 C11 1.405(8) . ?
C4 H4A 0.9300 . ?
C5 C12 1.439(8) . ?
C5 H5A 0.9300 . ?
C6 C7 1.351(8) . ?
C6 C12 1.395(8) . ?
C6 H6A 0.9300 . ?
C7 C8 1.394(7) . ?
C7 H7A 0.9300 . ?
C8 H8A 0.9300 . ?
C9 C11 1.416(6) . ?
C9 C10 1.432(6) . ?
C10 C12 1.399(6) . ?
C13 C14 1.386(6) . ?
C13 H13A 0.9300 . ?
C14 C15 1.344(7) . ?
C14 H14B 0.9300 . ?
C15 C23 1.394(7) . ?
C15 H15A 0.9300 . ?
C16 C17 1.346(8) . ?
C16 C23 1.424(7) . ?
C16 H16A 0.9300 . ?
C17 C24 1.425(7) . ?
C17 H17A 0.9300 . ?
C18 C19 1.355(7) . ?
C18 C24 1.387(7) . ?
C18 H18A 0.9300 . ?
C19 C20 1.386(6) . ?
C19 H19A 0.9300 . ?
C20 H20A 0.9300 . ?
C21 C23 1.403(5) . ?
C21 C22 1.443(6) . ?
C22 C24 1.398(5) . ?
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
N8 Mn1 N1 C1 -124.5(5) . . . . ?
N11 Mn1 N1 C1 12.1(4) . . . . ?
N13 Mn1 N1 C1 101.4(4) 2_666 . . . ?
N2 Mn1 N1 C1 -178.5(4) . . . . ?
N5 Mn1 N1 C1 -78.1(4) . . . . ?
N8 Mn1 N1 C9 53.5(5) . . . . ?
N11 Mn1 N1 C9 -169.9(3) . . . . ?
N13 Mn1 N1 C9 -80.6(3) 2_666 . . . ?
N2 Mn1 N1 C9 -0.5(3) . . . . ?
N5 Mn1 N1 C9 99.9(3) . . . . ?
N8 Mn1 N2 C8 18.3(4) . . . . ?
N11 Mn1 N2 C8 -146.9(5) . . . . ?
N13 Mn1 N2 C8 -75.3(4) 2_666 . . . ?
N1 Mn1 N2 C8 -179.0(4) . . . . ?
N5 Mn1 N2 C8 95.5(4) . . . . ?
N8 Mn1 N2 C10 -163.4(3) . . . . ?
N11 Mn1 N2 C10 31.4(6) . . . . ?
N13 Mn1 N2 C10 103.0(3) 2_666 . . . ?
N1 Mn1 N2 C10 -0.7(3) . . . . ?
N5 Mn1 N2 C10 -86.2(3) . . . . ?
N5 Mn2 N3 C13 120.6(4) . . . . ?
N14 Mn2 N3 C13 -18.3(3) . . . . ?
N8 Mn2 N3 C13 80.2(3) . . . . ?
N14 Mn2 N3 C13 -95.8(3) 2 . . . ?
N4 Mn2 N3 C13 178.4(4) . . . . ?
N5 Mn2 N3 C21 -55.9(5) . . . . ?
N14 Mn2 N3 C21 165.1(3) . . . . ?
N8 Mn2 N3 C21 -96.4(3) . . . . ?
N14 Mn2 N3 C21 87.7(3) 2 . . . ?
N4 Mn2 N3 C21 1.9(3) . . . . ?
N5 Mn2 N4 C20 -19.6(4) . . . . ?
N14 Mn2 N4 C20 126.6(4) . . . . ?
N8 Mn2 N4 C20 -97.4(4) . . . . ?
N14 Mn2 N4 C20 76.9(4) 2 . . . ?
N3 Mn2 N4 C20 178.4(4) . . . . ?
N5 Mn2 N4 C22 161.9(3) . . . . ?
N14 Mn2 N4 C22 -52.0(5) . . . . ?
N8 Mn2 N4 C22 84.0(3) . . . . ?
N14 Mn2 N4 C22 -101.7(3) 2 . . . ?
N3 Mn2 N4 C22 -0.2(3) . . . . ?
N14 Mn2 N5 N6 -104.1(4) . . . . ?
N8 Mn2 N5 N6 159.9(4) . . . . ?
N14 Mn2 N5 N6 -25.8(4) 2 . . . ?
N4 Mn2 N5 N6 63.9(4) . . . . ?
N3 Mn2 N5 N6 118.3(4) . . . . ?
N14 Mn2 N5 Mn1 102.68(14) . . . . ?
N8 Mn2 N5 Mn1 6.60(13) . . . . ?
N14 Mn2 N5 Mn1 -179.03(13) 2 . . . ?
N4 Mn2 N5 Mn1 -89.38(14) . . . . ?
N3 Mn2 N5 Mn1 -35.0(4) . . . . ?
N8 Mn1 N5 N6 -160.5(4) . . . . ?
N11 Mn1 N5 N6 -54.2(4) . . . . ?
N13 Mn1 N5 N6 -142.0(8) 2_666 . . . ?
N2 Mn1 N5 N6 107.9(4) . . . . ?
N1 Mn1 N5 N6 35.3(4) . . . . ?
N8 Mn1 N5 Mn2 -6.84(13) . . . . ?
N11 Mn1 N5 Mn2 99.48(17) . . . . ?
N13 Mn1 N5 Mn2 11.6(9) 2_666 . . . ?
N2 Mn1 N5 Mn2 -98.44(14) . . . . ?
N1 Mn1 N5 Mn2 -171.02(15) . . . . ?
Mn2 N5 N6 N7 77(22) . . . . ?
Mn1 N5 N6 N7 -136(22) . . . . ?
N11 Mn1 N8 N9 89.1(4) . . . . ?
N13 Mn1 N8 N9 -1.5(4) 2_666 . . . ?
N2 Mn1 N8 N9 -85.6(4) . . . . ?
N1 Mn1 N8 N9 -136.5(4) . . . . ?
N5 Mn1 N8 N9 175.5(4) . . . . ?
N11 Mn1 N8 Mn2 -79.65(19) . . . . ?
N13 Mn1 N8 Mn2 -170.20(16) 2_666 . . . ?
N2 Mn1 N8 Mn2 105.64(15) . . . . ?
N1 Mn1 N8 Mn2 54.7(4) . . . . ?
N5 Mn1 N8 Mn2 6.71(13) . . . . ?
N5 Mn2 N8 N9 -176.3(4) . . . . ?
N14 Mn2 N8 N9 82.1(4) . . . . ?
N14 Mn2 N8 N9 140.6(8) 2 . . . ?
N4 Mn2 N8 N9 -83.0(4) . . . . ?
N3 Mn2 N8 N9 -10.3(4) . . . . ?
N5 Mn2 N8 Mn1 -7.02(13) . . . . ?
N14 Mn2 N8 Mn1 -108.62(15) . . . . ?
N14 Mn2 N8 Mn1 -50.1(10) 2 . . . ?
N4 Mn2 N8 Mn1 86.27(15) . . . . ?
N3 Mn2 N8 Mn1 159.02(15) . . . . ?
Mn1 N8 N9 N10 -123(13) . . . . ?
Mn2 N8 N9 N10 44(14) . . . . ?
N8 Mn1 N11 N12 -117.7(5) . . . . ?
N13 Mn1 N11 N12 -23.8(5) 2_666 . . . ?
N2 Mn1 N11 N12 46.9(8) . . . . ?
N1 Mn1 N11 N12 77.5(5) . . . . ?
N5 Mn1 N11 N12 166.0(5) . . . . ?
Mn1 N11 N12 N13 152(12) . . . . ?
N11 N12 N13 Mn1 -119(12) . . . 2_666 ?
N5 Mn2 N14 N15 -85.9(4) . . . . ?
N8 Mn2 N14 N15 -6.9(4) . . . . ?
N14 Mn2 N14 N15 -179.7(5) 2 . . . ?
N4 Mn2 N14 N15 128.8(4) . . . . ?
N3 Mn2 N14 N15 79.9(4) . . . . ?
N5 Mn2 N14 Mn2 93.84(15) . . . 2 ?
N8 Mn2 N14 Mn2 172.83(14) . . . 2 ?
N14 Mn2 N14 Mn2 0.0 2 . . 2 ?
N4 Mn2 N14 Mn2 -51.4(4) . . . 2 ?
N3 Mn2 N14 Mn2 -100.34(14) . . . 2 ?
Mn2 N14 N15 N16 124(25) . . . . ?
Mn2 N14 N15 N16 -55(25) 2 . . . ?
C9 N1 C1 C2 -0.6(7) . . . . ?
Mn1 N1 C1 C2 177.4(4) . . . . ?
N1 C1 C2 C3 0.8(8) . . . . ?
C1 C2 C3 C11 -0.8(8) . . . . ?
C11 C4 C5 C12 -0.7(8) . . . . ?
C12 C6 C7 C8 0.2(8) . . . . ?
C10 N2 C8 C7 -0.6(7) . . . . ?
Mn1 N2 C8 C7 177.7(4) . . . . ?
C6 C7 C8 N2 1.4(8) . . . . ?
C1 N1 C9 C11 0.3(6) . . . . ?
Mn1 N1 C9 C11 -177.8(3) . . . . ?
C1 N1 C9 C10 179.8(4) . . . . ?
Mn1 N1 C9 C10 1.6(5) . . . . ?
C8 N2 C10 C12 -1.8(6) . . . . ?
Mn1 N2 C10 C12 179.8(3) . . . . ?
C8 N2 C10 C9 -179.7(4) . . . . ?
Mn1 N2 C10 C9 1.8(5) . . . . ?
N1 C9 C10 N2 -2.3(6) . . . . ?
C11 C9 C10 N2 177.2(4) . . . . ?
N1 C9 C10 C12 179.7(4) . . . . ?
C11 C9 C10 C12 -0.8(6) . . . . ?
C2 C3 C11 C4 -179.9(5) . . . . ?
C2 C3 C11 C9 0.6(7) . . . . ?
C5 C4 C11 C3 -179.4(5) . . . . ?
C5 C4 C11 C9 0.2(7) . . . . ?
N1 C9 C11 C3 -0.3(6) . . . . ?
C10 C9 C11 C3 -179.8(4) . . . . ?
N1 C9 C11 C4 -179.9(4) . . . . ?
C10 C9 C11 C4 0.6(6) . . . . ?
C7 C6 C12 C10 -2.3(7) . . . . ?
C7 C6 C12 C5 178.5(5) . . . . ?
N2 C10 C12 C6 3.2(6) . . . . ?
C9 C10 C12 C6 -178.9(4) . . . . ?
N2 C10 C12 C5 -177.6(4) . . . . ?
C9 C10 C12 C5 0.3(6) . . . . ?
C4 C5 C12 C6 179.6(5) . . . . ?
C4 C5 C12 C10 0.4(7) . . . . ?
C21 N3 C13 C14 -0.1(6) . . . . ?
Mn2 N3 C13 C14 -176.6(3) . . . . ?
N3 C13 C14 C15 0.6(7) . . . . ?
C13 C14 C15 C23 -1.9(7) . . . . ?
C23 C16 C17 C24 0.6(7) . . . . ?
C24 C18 C19 C20 -1.2(7) . . . . ?
C22 N4 C20 C19 2.2(6) . . . . ?
Mn2 N4 C20 C19 -176.3(3) . . . . ?
C18 C19 C20 N4 -1.2(7) . . . . ?
C13 N3 C21 C23 0.9(6) . . . . ?
Mn2 N3 C21 C23 177.8(3) . . . . ?
C13 N3 C21 C22 179.8(3) . . . . ?
Mn2 N3 C21 C22 -3.3(4) . . . . ?
C20 N4 C22 C24 -0.9(6) . . . . ?
Mn2 N4 C22 C24 177.9(3) . . . . ?
C20 N4 C22 C21 179.9(4) . . . . ?
Mn2 N4 C22 C21 -1.4(4) . . . . ?
N3 C21 C22 N4 3.2(5) . . . . ?
C23 C21 C22 N4 -177.9(3) . . . . ?
N3 C21 C22 C24 -176.1(3) . . . . ?
C23 C21 C22 C24 2.8(5) . . . . ?
C14 C15 C23 C21 2.6(6) . . . . ?
C14 C15 C23 C16 -175.9(4) . . . . ?
N3 C21 C23 C15 -2.2(6) . . . . ?
C22 C21 C23 C15 179.0(4) . . . . ?
N3 C21 C23 C16 176.5(4) . . . . ?
C22 C21 C23 C16 -2.4(6) . . . . ?
C17 C16 C23 C15 179.2(4) . . . . ?
C17 C16 C23 C21 0.7(7) . . . . ?
C19 C18 C24 C22 2.4(6) . . . . ?
C19 C18 C24 C17 -178.2(4) . . . . ?
N4 C22 C24 C18 -1.4(6) . . . . ?
C21 C22 C24 C18 177.8(4) . . . . ?
N4 C22 C24 C17 179.2(4) . . . . ?
C21 C22 C24 C17 -1.5(6) . . . . ?
C16 C17 C24 C18 -179.5(4) . . . . ?
C16 C17 C24 C22 -0.2(7) . . . . ?
