#------------------------------------------------------------------------------
#$Date: 2016-03-26 16:27:48 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180340 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/09/7200967.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_7200967
loop_
_publ_author_name
'Zhu, Xia'
'Liu, Xun-Gao'
'Li, Bao-Long'
'Zhang, Yong'
_publ_section_title
;
 Solvent-controlled assembly of supramolecular isomers: 2D (4,4)
 network, 1D ribbons of ring, and both 2D (4,4) networks and 1D ribbons
 of rings polycatenated in a 3D array
;
_journal_issue                   6
_journal_name_full               CrystEngComm
_journal_page_first              997
_journal_paper_doi               10.1039/b901780c
_journal_volume                  11
_journal_year                    2009
_chemical_formula_sum            'C36 H48 Mn2 N28 S4'
_chemical_formula_weight         1111.14
_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                103.854(4)
_cell_angle_beta                 100.129(5)
_cell_angle_gamma                99.920(4)
_cell_formula_units_Z            1
_cell_length_a                   9.0938(17)
_cell_length_b                   10.587(2)
_cell_length_c                   13.567(3)
_cell_measurement_reflns_used    4935
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      25.3491
_cell_measurement_theta_min      3.1052
_cell_volume                     1216.6(4)
_computing_cell_refinement       'CrystalClear (Rigaku Corp., 2000)'
_computing_data_collection       'CrystalClear (Rigaku Corp., 2000)'
_computing_data_reduction        'CrystalClear (Rigaku Corp., 2000)'
_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      193(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Rigaku Mercury CCD'
_diffrn_measurement_method       ω
_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  0.0221
_diffrn_reflns_av_sigmaI/netI    0.0263
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            12168
_diffrn_reflns_theta_full        25.35
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_min         3.11
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.753
_exptl_absorpt_correction_T_max  0.8827
_exptl_absorpt_correction_T_min  0.7785
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   Empirical
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.516
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             574
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.17
_refine_diff_density_max         0.230
_refine_diff_density_min         -0.267
_refine_diff_density_rms         0.048
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     319
_refine_ls_number_reflns         4440
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.053
_refine_ls_R_factor_all          0.0364
_refine_ls_R_factor_gt           0.0305
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0325P)²+0.5106P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0693
_refine_ls_wR_factor_ref         0.0722
_reflns_number_gt                3951
_reflns_number_total             4440
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b901780c.txt
_cod_data_source_block           '[2D-Mn(btb)2(NCS)2][1D-Mn(btb)2(NCS)2](3)'
_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.

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

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        1216.7(5)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7200967
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 0.0000 1.0000 0.5000 0.01793(10) Uani 1 2 d S . .
Mn2 Mn 1.0000 0.5000 1.0000 0.01897(10) Uani 1 2 d S . .
S1 S -0.41579(6) 0.62363(5) 0.26838(4) 0.03142(13) Uani 1 1 d . . .
S2 S 1.10509(6) 0.60221(5) 0.67582(4) 0.03300(14) Uani 1 1 d . . .
N1 N 0.29709(16) 0.70601(15) 0.47147(12) 0.0213(3) Uani 1 1 d . . .
N2 N 0.40759(17) 0.81955(15) 0.49354(13) 0.0255(4) Uani 1 1 d . . .
N3 N 0.17525(17) 0.86769(15) 0.49169(12) 0.0214(3) Uani 1 1 d . . .
N4 N 0.01580(17) 0.91486(15) 0.80117(12) 0.0235(3) Uani 1 1 d . . .
N5 N -0.12856(18) 0.83964(17) 0.75668(13) 0.0291(4) Uani 1 1 d . . .
N6 N -0.03938(17) 0.94855(15) 0.64791(12) 0.0225(3) Uani 1 1 d . . .
N7 N -0.18203(18) 0.82814(16) 0.40680(14) 0.0303(4) Uani 1 1 d . . .
N8 N 0.62702(17) 0.68085(15) 0.89527(12) 0.0222(3) Uani 1 1 d . . .
N9 N 0.6036(2) 0.69440(18) 0.99303(13) 0.0336(4) Uani 1 1 d . . .
N10 N 0.79992(17) 0.59530(15) 0.97152(12) 0.0220(3) Uani 1 1 d . . .
N11 N 0.63776(17) 1.15259(15) 0.81987(12) 0.0233(3) Uani 1 1 d . . .
N12 N 0.73206(19) 1.13366(16) 0.75265(13) 0.0301(4) Uani 1 1 d . . .
N13 N 0.84419(17) 1.30945(15) 0.89245(12) 0.0230(3) Uani 1 1 d . . .
N14 N 1.07287(19) 0.54225(17) 0.86171(14) 0.0314(4) Uani 1 1 d . . .
C1 C 0.3285(2) 0.91325(19) 0.50515(15) 0.0245(4) Uani 1 1 d . . .
H1A H 0.3751 1.0055 0.5216 0.029 Uiso 1 1 calc R . .
C2 C 0.1605(2) 0.73621(18) 0.47012(14) 0.0219(4) Uani 1 1 d . . .
H2A H 0.0662 0.6730 0.4558 0.026 Uiso 1 1 calc R . .
C3 C 0.3337(2) 0.57370(18) 0.44496(15) 0.0253(4) Uani 1 1 d . . .
H3A H 0.3466 0.5517 0.3723 0.030 Uiso 1 1 calc R . .
H3B H 0.2467 0.5060 0.4488 0.030 Uiso 1 1 calc R . .
C4 C 0.4781(2) 0.56668(18) 0.51678(15) 0.0256(4) Uani 1 1 d . . .
H4A H 0.4621 0.5809 0.5886 0.031 Uiso 1 1 calc R . .
H4B H 0.5634 0.6392 0.5175 0.031 Uiso 1 1 calc R . .
C5 C -0.1555(2) 0.86423(19) 0.66536(15) 0.0272(4) Uani 1 1 d . . .
H5A H -0.2496 0.8256 0.6153 0.033 Uiso 1 1 calc R . .
C6 C 0.0660(2) 0.97776(19) 0.73564(14) 0.0239(4) Uani 1 1 d . . .
H6A H 0.1639 1.0357 0.7498 0.029 Uiso 1 1 calc R . .
C7 C 0.1021(2) 0.9065(2) 0.90069(15) 0.0301(5) Uani 1 1 d . . .
H7A H 0.2008 0.9731 0.9218 0.036 Uiso 1 1 calc R . .
H7B H 0.1251 0.8169 0.8909 0.036 Uiso 1 1 calc R . .
C8 C 0.0163(2) 0.93105(18) 0.98703(14) 0.0248(4) Uani 1 1 d . . .
H8A H -0.0820 0.8639 0.9660 0.030 Uiso 1 1 calc R . .
H8B H 0.0774 0.9183 1.0505 0.030 Uiso 1 1 calc R . .
C9 C -0.2788(2) 0.74146(18) 0.35021(15) 0.0225(4) Uani 1 1 d . . .
C10 C 0.7098(2) 0.6407(2) 1.03526(16) 0.0323(5) Uani 1 1 d . . .
H10A H 0.7222 0.6344 1.1048 0.039 Uiso 1 1 calc R . .
C11 C 0.7426(2) 0.62222(17) 0.88378(15) 0.0220(4) Uani 1 1 d . . .
H11A H 0.7793 0.6022 0.8217 0.026 Uiso 1 1 calc R . .
C12 C 0.8536(2) 1.23041(19) 0.79982(15) 0.0277(4) Uani 1 1 d . . .
H12A H 0.9414 1.2440 0.7713 0.033 Uiso 1 1 calc R . .
C13 C 0.7050(2) 1.25684(18) 0.90086(15) 0.0233(4) Uani 1 1 d . . .
H13A H 0.6601 1.2895 0.9572 0.028 Uiso 1 1 calc R . .
C14 C 0.5335(2) 0.72879(18) 0.81963(15) 0.0266(4) Uani 1 1 d . . .
H14A H 0.4247 0.6831 0.8079 0.032 Uiso 1 1 calc R . .
H14B H 0.5648 0.7056 0.7524 0.032 Uiso 1 1 calc R . .
C15 C 0.5485(2) 0.87827(18) 0.85535(15) 0.0249(4) Uani 1 1 d . . .
H15A H 0.6582 0.9242 0.8787 0.030 Uiso 1 1 calc R . .
H15B H 0.4993 0.9007 0.9149 0.030 Uiso 1 1 calc R . .
C16 C 0.4718(2) 0.92494(18) 0.76578(15) 0.0259(4) Uani 1 1 d . . .
H16A H 0.5205 0.8999 0.7064 0.031 Uiso 1 1 calc R . .
H16B H 0.3626 0.8774 0.7429 0.031 Uiso 1 1 calc R . .
C17 C 0.4808(2) 1.07438(18) 0.79268(17) 0.0288(4) Uani 1 1 d . . .
H17A H 0.4224 1.0956 0.7323 0.035 Uiso 1 1 calc R . .
H17B H 0.4321 1.1000 0.8520 0.035 Uiso 1 1 calc R . .
C18 C 1.0863(2) 0.56514(18) 0.78345(15) 0.0237(4) 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'
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'
S S 0.1246 0.1234 '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
N7 Mn1 N7 180.0 2_576 . ?
N7 Mn1 N6 89.92(6) 2_576 . ?
N7 Mn1 N6 90.08(6) . . ?
N7 Mn1 N6 90.08(6) 2_576 2_576 ?
N7 Mn1 N6 89.92(6) . 2_576 ?
N6 Mn1 N6 180.0 . 2_576 ?
N7 Mn1 N3 89.98(6) 2_576 2_576 ?
N7 Mn1 N3 90.02(6) . 2_576 ?
N6 Mn1 N3 91.30(5) . 2_576 ?
N6 Mn1 N3 88.70(5) 2_576 2_576 ?
N7 Mn1 N3 90.02(6) 2_576 . ?
N7 Mn1 N3 89.98(6) . . ?
N6 Mn1 N3 88.70(5) . . ?
N6 Mn1 N3 91.30(5) 2_576 . ?
N3 Mn1 N3 180.000(1) 2_576 . ?
N14 Mn2 N14 180.000(1) 2_767 . ?
N14 Mn2 N10 90.75(6) 2_767 2_767 ?
N14 Mn2 N10 89.25(6) . 2_767 ?
N14 Mn2 N10 89.25(6) 2_767 . ?
N14 Mn2 N10 90.75(6) . . ?
N10 Mn2 N10 180.000(1) 2_767 . ?
N14 Mn2 N13 87.84(6) 2_767 2_777 ?
N14 Mn2 N13 92.16(6) . 2_777 ?
N10 Mn2 N13 86.35(6) 2_767 2_777 ?
N10 Mn2 N13 93.65(6) . 2_777 ?
N14 Mn2 N13 92.16(6) 2_767 1_545 ?
N14 Mn2 N13 87.84(6) . 1_545 ?
N10 Mn2 N13 93.65(6) 2_767 1_545 ?
N10 Mn2 N13 86.35(6) . 1_545 ?
N13 Mn2 N13 180.0 2_777 1_545 ?
C2 N1 N2 109.87(14) . . ?
C2 N1 C3 128.80(15) . . ?
N2 N1 C3 121.11(14) . . ?
C1 N2 N1 102.50(14) . . ?
C2 N3 C1 102.67(15) . . ?
C2 N3 Mn1 132.49(12) . . ?
C1 N3 Mn1 124.79(12) . . ?
C6 N4 N5 109.71(15) . . ?
C6 N4 C7 128.15(16) . . ?
N5 N4 C7 121.61(15) . . ?
C5 N5 N4 102.13(15) . . ?
C6 N6 C5 102.38(16) . . ?
C6 N6 Mn1 125.13(12) . . ?
C5 N6 Mn1 131.38(13) . . ?
C9 N7 Mn1 174.19(16) . . ?
C11 N8 N9 110.10(15) . . ?
C11 N8 C14 128.44(16) . . ?
N9 N8 C14 121.45(15) . . ?
C10 N9 N8 102.42(15) . . ?
C11 N10 C10 102.69(15) . . ?
C11 N10 Mn2 126.45(12) . . ?
C10 N10 Mn2 130.86(13) . . ?
C13 N11 N12 109.94(15) . . ?
C13 N11 C17 128.65(17) . . ?
N12 N11 C17 120.97(16) . . ?
C12 N12 N11 102.30(15) . . ?
C13 N13 C12 102.36(16) . . ?
C13 N13 Mn2 125.50(13) . 1_565 ?
C12 N13 Mn2 131.63(13) . 1_565 ?
C18 N14 Mn2 168.81(15) . . ?
N2 C1 N3 114.78(17) . . ?
N2 C1 H1A 122.6 . . ?
N3 C1 H1A 122.6 . . ?
N3 C2 N1 110.17(16) . . ?
N3 C2 H2A 124.9 . . ?
N1 C2 H2A 124.9 . . ?
N1 C3 C4 112.64(15) . . ?
N1 C3 H3A 109.1 . . ?
C4 C3 H3A 109.1 . . ?
N1 C3 H3B 109.1 . . ?
C4 C3 H3B 109.1 . . ?
H3A C3 H3B 107.8 . . ?
C3 C4 C4 112.12(19) . 2_666 ?
C3 C4 H4A 109.2 . . ?
C4 C4 H4A 109.2 2_666 . ?
C3 C4 H4B 109.2 . . ?
C4 C4 H4B 109.2 2_666 . ?
H4A C4 H4B 107.9 . . ?
N5 C5 N6 115.14(17) . . ?
N5 C5 H5A 122.4 . . ?
N6 C5 H5A 122.4 . . ?
N6 C6 N4 110.64(16) . . ?
N6 C6 H6A 124.7 . . ?
N4 C6 H6A 124.7 . . ?
N4 C7 C8 112.90(16) . . ?
N4 C7 H7A 109.0 . . ?
C8 C7 H7A 109.0 . . ?
N4 C7 H7B 109.0 . . ?
C8 C7 H7B 109.0 . . ?
H7A C7 H7B 107.8 . . ?
C8 C8 C7 113.4(2) 2_577 . ?
C8 C8 H8A 108.9 2_577 . ?
C7 C8 H8A 108.9 . . ?
C8 C8 H8B 108.9 2_577 . ?
C7 C8 H8B 108.9 . . ?
H8A C8 H8B 107.7 . . ?
N7 C9 S1 177.93(17) . . ?
N9 C10 N10 114.58(18) . . ?
N9 C10 H10A 122.7 . . ?
N10 C10 H10A 122.7 . . ?
N8 C11 N10 110.21(16) . . ?
N8 C11 H11A 124.9 . . ?
N10 C11 H11A 124.9 . . ?
N12 C12 N13 114.87(17) . . ?
N12 C12 H12A 122.6 . . ?
N13 C12 H12A 122.6 . . ?
N11 C13 N13 110.52(17) . . ?
N11 C13 H13A 124.7 . . ?
N13 C13 H13A 124.7 . . ?
N8 C14 C15 112.28(15) . . ?
N8 C14 H14A 109.1 . . ?
C15 C14 H14A 109.1 . . ?
N8 C14 H14B 109.1 . . ?
C15 C14 H14B 109.1 . . ?
H14A C14 H14B 107.9 . . ?
C14 C15 C16 109.48(15) . . ?
C14 C15 H15A 109.8 . . ?
C16 C15 H15A 109.8 . . ?
C14 C15 H15B 109.8 . . ?
C16 C15 H15B 109.8 . . ?
H15A C15 H15B 108.2 . . ?
C17 C16 C15 114.08(16) . . ?
C17 C16 H16A 108.7 . . ?
C15 C16 H16A 108.7 . . ?
C17 C16 H16B 108.7 . . ?
C15 C16 H16B 108.7 . . ?
H16A C16 H16B 107.6 . . ?
N11 C17 C16 112.61(15) . . ?
N11 C17 H17A 109.1 . . ?
C16 C17 H17A 109.1 . . ?
N11 C17 H17B 109.1 . . ?
C16 C17 H17B 109.1 . . ?
H17A C17 H17B 107.8 . . ?
N14 C18 S2 178.11(18) . . ?
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 N7 2.1849(17) 2_576 ?
Mn1 N7 2.1849(17) . ?
Mn1 N6 2.2718(16) . ?
Mn1 N6 2.2718(16) 2_576 ?
Mn1 N3 2.2960(14) 2_576 ?
Mn1 N3 2.2960(15) . ?
Mn2 N14 2.2128(17) 2_767 ?
Mn2 N14 2.2128(17) . ?
Mn2 N10 2.2472(15) 2_767 ?
Mn2 N10 2.2472(15) . ?
Mn2 N13 2.2550(16) 2_777 ?
Mn2 N13 2.2550(16) 1_545 ?
S1 C9 1.630(2) . ?
S2 C18 1.629(2) . ?
N1 C2 1.333(2) . ?
N1 N2 1.360(2) . ?
N1 C3 1.471(2) . ?
N2 C1 1.318(2) . ?
N3 C2 1.330(2) . ?
N3 C1 1.358(2) . ?
N4 C6 1.328(2) . ?
N4 N5 1.361(2) . ?
N4 C7 1.468(2) . ?
N5 C5 1.316(2) . ?
N6 C6 1.323(2) . ?
N6 C5 1.354(2) . ?
N7 C9 1.163(2) . ?
N8 C11 1.323(2) . ?
N8 N9 1.358(2) . ?
N8 C14 1.458(2) . ?
N9 C10 1.317(3) . ?
N10 C11 1.329(2) . ?
N10 C10 1.355(2) . ?
N11 C13 1.323(2) . ?
N11 N12 1.362(2) . ?
N11 C17 1.456(2) . ?
N12 C12 1.315(3) . ?
N13 C13 1.328(2) . ?
N13 C12 1.359(2) . ?
N13 Mn2 2.2550(15) 1_565 ?
N14 C18 1.166(2) . ?
C1 H1A 0.9500 . ?
C2 H2A 0.9500 . ?
C3 C4 1.516(3) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 C4 1.520(3) 2_666 ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C5 H5A 0.9500 . ?
C6 H6A 0.9500 . ?
C7 C8 1.514(3) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 C8 1.511(4) 2_577 ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C10 H10A 0.9500 . ?
C11 H11A 0.9500 . ?
C12 H12A 0.9500 . ?
C13 H13A 0.9500 . ?
C14 C15 1.514(3) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 C16 1.522(3) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 C17 1.520(3) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C2 N1 N2 C1 0.5(2) . . . . ?
C3 N1 N2 C1 175.59(16) . . . . ?
N7 Mn1 N3 C2 160.67(17) 2_576 . . . ?
N7 Mn1 N3 C2 -19.33(17) . . . . ?
N6 Mn1 N3 C2 70.76(17) . . . . ?
N6 Mn1 N3 C2 -109.24(17) 2_576 . . . ?
N7 Mn1 N3 C1 -22.43(15) 2_576 . . . ?
N7 Mn1 N3 C1 157.57(15) . . . . ?
N6 Mn1 N3 C1 -112.34(15) . . . . ?
N6 Mn1 N3 C1 67.66(15) 2_576 . . . ?
C6 N4 N5 C5 -0.3(2) . . . . ?
C7 N4 N5 C5 -172.61(16) . . . . ?
N7 Mn1 N6 C6 -27.83(15) 2_576 . . . ?
N7 Mn1 N6 C6 152.17(15) . . . . ?
N3 Mn1 N6 C6 -117.81(15) 2_576 . . . ?
N3 Mn1 N6 C6 62.19(15) . . . . ?
N7 Mn1 N6 C5 166.41(17) 2_576 . . . ?
N7 Mn1 N6 C5 -13.59(17) . . . . ?
N3 Mn1 N6 C5 76.43(17) 2_576 . . . ?
N3 Mn1 N6 C5 -103.57(17) . . . . ?
C11 N8 N9 C10 -0.2(2) . . . . ?
C14 N8 N9 C10 -179.53(17) . . . . ?
N14 Mn2 N10 C11 -163.55(15) 2_767 . . . ?
N14 Mn2 N10 C11 16.45(15) . . . . ?
N13 Mn2 N10 C11 108.66(15) 2_777 . . . ?
N13 Mn2 N10 C11 -71.34(15) 1_545 . . . ?
N14 Mn2 N10 C10 17.41(18) 2_767 . . . ?
N14 Mn2 N10 C10 -162.59(18) . . . . ?
N13 Mn2 N10 C10 -70.37(18) 2_777 . . . ?
N13 Mn2 N10 C10 109.63(18) 1_545 . . . ?
C13 N11 N12 C12 0.4(2) . . . . ?
C17 N11 N12 C12 173.45(16) . . . . ?
N10 Mn2 N14 C18 156.9(8) 2_767 . . . ?
N10 Mn2 N14 C18 -23.1(8) . . . . ?
N13 Mn2 N14 C18 -116.8(8) 2_777 . . . ?
N13 Mn2 N14 C18 63.2(8) 1_545 . . . ?
N1 N2 C1 N3 -0.2(2) . . . . ?
C2 N3 C1 N2 -0.1(2) . . . . ?
Mn1 N3 C1 N2 -177.75(12) . . . . ?
C1 N3 C2 N1 0.4(2) . . . . ?
Mn1 N3 C2 N1 177.80(12) . . . . ?
N2 N1 C2 N3 -0.6(2) . . . . ?
C3 N1 C2 N3 -175.20(17) . . . . ?
C2 N1 C3 C4 -141.12(19) . . . . ?
N2 N1 C3 C4 44.8(2) . . . . ?
N1 C3 C4 C4 -175.3(2) . . . 2_666 ?
N4 N5 C5 N6 0.4(2) . . . . ?
C6 N6 C5 N5 -0.2(2) . . . . ?
Mn1 N6 C5 N5 167.87(13) . . . . ?
C5 N6 C6 N4 0.0(2) . . . . ?
Mn1 N6 C6 N4 -169.11(11) . . . . ?
N5 N4 C6 N6 0.2(2) . . . . ?
C7 N4 C6 N6 171.84(17) . . . . ?
C6 N4 C7 C8 134.41(19) . . . . ?
N5 N4 C7 C8 -54.9(2) . . . . ?
N4 C7 C8 C8 -62.2(3) . . . 2_577 ?
N8 N9 C10 N10 0.6(2) . . . . ?
C11 N10 C10 N9 -0.7(2) . . . . ?
Mn2 N10 C10 N9 178.47(14) . . . . ?
N9 N8 C11 N10 -0.2(2) . . . . ?
C14 N8 C11 N10 179.02(16) . . . . ?
C10 N10 C11 N8 0.5(2) . . . . ?
Mn2 N10 C11 N8 -178.71(11) . . . . ?
N11 N12 C12 N13 0.3(2) . . . . ?
C13 N13 C12 N12 -0.8(2) . . . . ?
Mn2 N13 C12 N12 -172.75(13) 1_565 . . . ?
N12 N11 C13 N13 -0.9(2) . . . . ?
C17 N11 C13 N13 -173.31(17) . . . . ?
C12 N13 C13 N11 1.0(2) . . . . ?
Mn2 N13 C13 N11 173.63(11) 1_565 . . . ?
C11 N8 C14 C15 -117.4(2) . . . . ?
N9 N8 C14 C15 61.7(2) . . . . ?
N8 C14 C15 C16 169.91(16) . . . . ?
C14 C15 C16 C17 -179.62(16) . . . . ?
C13 N11 C17 C16 -131.7(2) . . . . ?
N12 N11 C17 C16 56.7(2) . . . . ?
C15 C16 C17 N11 62.7(2) . . . . ?
