#------------------------------------------------------------------------------
#$Date: 2016-03-24 14:44:50 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179672 $
#$URL: svn://www.crystallography.net/cod/cif/4/51/25/4512548.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_4512548
loop_
_publ_author_name
'Zhao, Ying'
'Chang, Xin-Hong'
'Liu, Guang-Zhen'
'Ma, Lu-Fang'
'Wang, Li-Ya'
_publ_section_title
;
 Five Mn(II) Coordination Polymers Based on
 2,3′,5,5′-Biphenyl Tetracarboxylic Acid: Syntheses,
 Structures, and Magnetic Properties
;
_journal_issue                   2
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              966
_journal_paper_doi               10.1021/cg501768f
_journal_volume                  15
_journal_year                    2015
_chemical_formula_sum            'C18 H12 Mn N3.33 O6'
_chemical_formula_weight         425.92
_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                97.955(10)
_cell_angle_beta                 94.363(11)
_cell_angle_gamma                103.286(10)
_cell_formula_units_Z            3
_cell_length_a                   7.570(7)
_cell_length_b                   10.630(10)
_cell_length_c                   16.062(15)
_cell_measurement_reflns_used    3706
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.90
_cell_measurement_theta_min      2.58
_cell_volume                     1238(2)
_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      296(2)
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.982
_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  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0785
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -5
_diffrn_reflns_number            4523
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         2.54
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.847
_exptl_absorpt_correction_T_max  0.7913
_exptl_absorpt_correction_T_min  0.7228
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.714
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             649
_exptl_crystal_size_max          0.41
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.29
_refine_diff_density_max         1.217
_refine_diff_density_min         -0.758
_refine_diff_density_rms         0.110
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.060
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     395
_refine_ls_number_reflns         4523
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.060
_refine_ls_R_factor_all          0.0693
_refine_ls_R_factor_gt           0.0615
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0862P)²+1.5145P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1627
_refine_ls_wR_factor_ref         0.1690
_reflns_number_gt                3913
_reflns_number_total             4523
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg501768f_si_005.cif
_cod_data_source_block           c
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/home/saulius/struct/COD-crude-data--automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2935 2014-11-11 08:27:57Z andrius 

 Adding full bibliography for 4512547--4512550.cif.
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4512548
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
Mn1 Mn 1.15301(10) 1.16370(7) 0.49674(5) 0.0226(2) Uani 1 1 d .
Mn2 Mn 1.0000 1.0000 1.0000 0.0207(3) Uani 1 2 d S
N1 N 0.8760(6) 0.8938(4) 1.0957(3) 0.0254(9) Uani 1 1 d .
N2 N 0.7264(6) 0.7376(4) 1.1591(3) 0.0266(10) Uani 1 1 d .
N3 N 0.4555(6) 0.3971(5) 1.1068(3) 0.0328(11) Uani 1 1 d .
N4 N 0.3756(6) 0.4458(4) 1.3313(3) 0.0275(9) Uani 1 1 d .
N5 N 0.2619(6) 0.3290(4) 1.4284(3) 0.0301(10) Uani 1 1 d .
O1 O 1.2744(7) 1.0489(5) 0.4033(3) 0.0431(11) Uani 1 1 d .
O2 O 1.6875(6) 1.1580(4) 0.8822(2) 0.0332(9) Uani 1 1 d .
H2 H 1.7286 1.1932 0.9306 0.050 Uiso 1 1 calc R
O3 O 1.7205(5) 0.9713(4) 0.9249(2) 0.0314(9) Uani 1 1 d .
O4 O 1.0197(5) 0.8202(4) 0.9162(2) 0.0306(8) Uani 1 1 d .
O5 O 1.1450(6) 0.6953(4) 0.9919(2) 0.0434(11) Uani 1 1 d .
O6 O 1.0876(6) 0.3044(4) 0.5876(2) 0.0375(9) Uani 1 1 d .
O7 O 0.8264(6) 0.2079(4) 0.6333(3) 0.0437(11) Uani 1 1 d .
O8 O 1.3425(6) 1.1200(4) 0.5965(2) 0.0368(10) Uani 1 1 d .
O9 O 1.1049(5) 0.9528(4) 0.5608(2) 0.0386(10) Uani 1 1 d .
C1 C 0.7517(8) 0.7816(5) 1.0842(3) 0.0276(11) Uani 1 1 d .
H1A H 0.6898 0.7385 1.0321 0.033 Uiso 1 1 calc R
C2 C 0.8442(7) 0.8294(5) 1.2211(3) 0.0260(11) Uani 1 1 d .
H2A H 0.8592 0.8264 1.2788 0.031 Uiso 1 1 calc R
C3 C 0.9319(8) 0.9233(5) 1.1803(3) 0.0253(10) Uani 1 1 d .
H3 H 1.0189 0.9980 1.2062 0.030 Uiso 1 1 calc R
C4 C 0.6122(7) 0.6154(5) 1.1707(3) 0.0264(11) Uani 1 1 d .
C5 C 0.5689(8) 0.5121(5) 1.1038(3) 0.0312(12) Uani 1 1 d .
H5 H 0.6218 0.5238 1.0541 0.037 Uiso 1 1 calc R
C6 C 0.3883(8) 0.3795(5) 1.1811(3) 0.0296(12) Uani 1 1 d .
H6 H 0.3044 0.3017 1.1842 0.036 Uiso 1 1 calc R
C7 C 0.4408(7) 0.4740(5) 1.2529(3) 0.0256(11) Uani 1 1 d .
C8 C 0.5493(7) 0.5969(5) 1.2481(3) 0.0263(11) Uani 1 1 d .
H8 H 0.5784 0.6636 1.2946 0.032 Uiso 1 1 calc R
C9 C 0.3225(8) 0.3247(5) 1.3536(4) 0.0337(13) Uani 1 1 d .
H9 H 0.3285 0.2477 1.3197 0.040 Uiso 1 1 calc R
C10 C 0.2760(8) 0.4610(5) 1.4563(4) 0.0324(12) Uani 1 1 d .
H10 H 0.2419 0.4953 1.5073 0.039 Uiso 1 1 calc R
C11 C 0.3476(7) 0.5322(5) 1.3972(3) 0.0299(12) Uani 1 1 d .
H11 H 0.3727 0.6228 1.4011 0.036 Uiso 1 1 calc R
C12 C 1.0768(7) 0.7204(5) 0.9246(3) 0.0237(11) Uani 1 1 d .
C13 C 1.0551(7) 0.6151(5) 0.8477(3) 0.0213(10) Uani 1 1 d .
C14 C 1.1270(7) 0.6399(5) 0.7722(3) 0.0214(10) Uani 1 1 d .
C15 C 1.0976(7) 0.5361(5) 0.7053(3) 0.0232(11) Uani 1 1 d .
H15 H 1.1500 0.5503 0.6558 0.028 Uiso 1 1 calc R
C16 C 0.9925(7) 0.4122(5) 0.7102(3) 0.0217(10) Uani 1 1 d .
C17 C 0.9202(7) 0.3894(5) 0.7848(3) 0.0251(11) Uani 1 1 d .
H17 H 0.8483 0.3072 0.7887 0.030 Uiso 1 1 calc R
C18 C 0.9549(7) 0.4893(5) 0.8541(3) 0.0242(11) Uani 1 1 d .
H18 H 0.9112 0.4724 0.9051 0.029 Uiso 1 1 calc R
C19 C 1.2421(7) 0.7703(5) 0.7624(3) 0.0202(10) Uani 1 1 d .
C20 C 1.3851(6) 0.8401(5) 0.8229(3) 0.0197(10) Uani 1 1 d .
H20 H 1.4086 0.8062 0.8717 0.024 Uiso 1 1 calc R
C21 C 1.4947(6) 0.9611(5) 0.8113(3) 0.0211(10) Uani 1 1 d .
C22 C 1.4568(7) 1.0146(5) 0.7392(3) 0.0216(10) Uani 1 1 d .
H22 H 1.5273 1.0956 0.7319 0.026 Uiso 1 1 calc R
C23 C 1.3131(7) 0.9465(5) 0.6781(3) 0.0212(10) Uani 1 1 d .
C24 C 1.2078(7) 0.8236(5) 0.6900(3) 0.0238(10) Uani 1 1 d .
H24 H 1.1137 0.7773 0.6488 0.029 Uiso 1 1 calc R
C25 C 1.6458(7) 1.0324(5) 0.8787(3) 0.0226(10) Uani 1 1 d .
C26 C 1.2519(7) 1.0094(5) 0.6067(3) 0.0244(11) Uani 1 1 d .
C27 C 0.9640(7) 0.2994(5) 0.6374(3) 0.0274(11) Uani 1 1 d .
H2W H 1.36(2) 1.079(15) 0.441(9) 0.17(7) Uiso 1 1 d .
H1W H 1.233(9) 0.976(8) 0.391(4) 0.04(2) Uiso 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'
O O 0.0106 0.0060 '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
O6 Mn1 O9 103.98(18) 1_565 2_776
O6 Mn1 O1 167.98(18) 1_565 .
O9 Mn1 O1 86.9(2) 2_776 .
O6 Mn1 N5 86.65(18) 1_565 1_664
O9 Mn1 N5 112.60(16) 2_776 1_664
O1 Mn1 N5 84.47(18) . 1_664
O6 Mn1 O8 89.37(17) 1_565 .
O9 Mn1 O8 128.48(15) 2_776 .
O1 Mn1 O8 87.61(19) . .
N5 Mn1 O8 117.76(17) 1_664 .
O6 Mn1 H2W 149(4) 1_565 .
O9 Mn1 H2W 107(4) 2_776 .
O1 Mn1 H2W 21(4) . .
N5 Mn1 H2W 84(4) 1_664 .
O8 Mn1 H2W 69(4) . .
N1 Mn2 N1 180.000(2) 2_777 .
N1 Mn2 O4 94.05(17) 2_777 2_777
N1 Mn2 O4 85.95(17) . 2_777
N1 Mn2 O4 85.95(17) 2_777 .
N1 Mn2 O4 94.05(17) . .
O4 Mn2 O4 180.000(2) 2_777 .
N1 Mn2 O3 88.85(16) 2_777 1_455
N1 Mn2 O3 91.15(16) . 1_455
O4 Mn2 O3 94.44(15) 2_777 1_455
O4 Mn2 O3 85.56(15) . 1_455
N1 Mn2 O3 91.15(16) 2_777 2_877
N1 Mn2 O3 88.85(16) . 2_877
O4 Mn2 O3 85.56(15) 2_777 2_877
O4 Mn2 O3 94.44(15) . 2_877
O3 Mn2 O3 180.000(1) 1_455 2_877
C1 N1 C3 106.3(4) . .
C1 N1 Mn2 128.0(4) . .
C3 N1 Mn2 125.2(4) . .
C1 N2 C2 106.7(4) . .
C1 N2 C4 126.5(4) . .
C2 N2 C4 126.6(4) . .
C5 N3 C6 117.3(5) . .
C9 N4 C11 106.1(4) . .
C9 N4 C7 126.1(5) . .
C11 N4 C7 127.8(4) . .
C9 N5 C10 104.9(4) . .
C9 N5 Mn1 128.7(4) . 1_446
C10 N5 Mn1 126.4(4) . 1_446
Mn1 O1 H2W 76(10) . .
Mn1 O1 H1W 119(5) . .
H2W O1 H1W 123(10) . .
C25 O2 H2 109.5 . .
C25 O3 Mn2 137.1(3) . 1_655
C12 O4 Mn2 136.4(3) . .
C27 O6 Mn1 133.3(4) . 1_545
C26 O8 Mn1 99.7(3) . .
C26 O9 Mn1 168.7(4) . 2_776
N1 C1 N2 110.6(5) . .
N1 C1 H1A 124.7 . .
N2 C1 H1A 124.7 . .
C3 C2 N2 105.6(4) . .
C3 C2 H2A 127.2 . .
N2 C2 H2A 127.2 . .
C2 C3 N1 110.7(5) . .
C2 C3 H3 124.6 . .
N1 C3 H3 124.6 . .
C5 C4 C8 119.5(5) . .
C5 C4 N2 119.0(5) . .
C8 C4 N2 121.4(5) . .
N3 C5 C4 123.5(5) . .
N3 C5 H5 118.3 . .
C4 C5 H5 118.3 . .
N3 C6 C7 122.0(5) . .
N3 C6 H6 119.0 . .
C7 C6 H6 119.0 . .
C6 C7 C8 120.4(5) . .
C6 C7 N4 119.4(4) . .
C8 C7 N4 120.2(5) . .
C4 C8 C7 116.8(5) . .
C4 C8 H8 121.6 . .
C7 C8 H8 121.6 . .
N5 C9 N4 112.4(5) . .
N5 C9 H9 123.8 . .
N4 C9 H9 123.8 . .
C11 C10 N5 109.4(5) . .
C11 C10 H10 125.3 . .
N5 C10 H10 125.3 . .
N4 C11 C10 107.2(5) . .
N4 C11 H11 126.4 . .
C10 C11 H11 126.4 . .
O5 C12 O4 126.2(5) . .
O5 C12 C13 115.4(5) . .
O4 C12 C13 118.3(4) . .
C18 C13 C14 120.0(4) . .
C18 C13 C12 117.0(4) . .
C14 C13 C12 123.0(4) . .
C15 C14 C13 118.2(5) . .
C15 C14 C19 119.0(4) . .
C13 C14 C19 122.7(4) . .
C16 C15 C14 122.1(5) . .
C16 C15 H15 119.0 . .
C14 C15 H15 119.0 . .
C17 C16 C15 119.1(5) . .
C17 C16 C27 119.2(4) . .
C15 C16 C27 121.6(5) . .
C16 C17 C18 120.1(5) . .
C16 C17 H17 120.0 . .
C18 C17 H17 120.0 . .
C17 C18 C13 120.4(5) . .
C17 C18 H18 119.8 . .
C13 C18 H18 119.8 . .
C20 C19 C24 118.6(4) . .
C20 C19 C14 122.1(4) . .
C24 C19 C14 119.3(4) . .
C19 C20 C21 121.1(4) . .
C19 C20 H20 119.5 . .
C21 C20 H20 119.5 . .
C22 C21 C20 119.8(4) . .
C22 C21 C25 121.4(4) . .
C20 C21 C25 118.8(4) . .
C23 C22 C21 119.9(4) . .
C23 C22 H22 120.0 . .
C21 C22 H22 120.0 . .
C22 C23 C24 119.3(4) . .
C22 C23 C26 121.1(4) . .
C24 C23 C26 119.0(4) . .
C19 C24 C23 121.3(4) . .
C19 C24 H24 119.4 . .
C23 C24 H24 119.4 . .
O3 C25 O2 125.4(4) . .
O3 C25 C21 120.4(4) . .
O2 C25 C21 114.2(4) . .
O8 C26 O9 121.3(5) . .
O8 C26 C23 119.6(4) . .
O9 C26 C23 119.0(5) . .
O7 C27 O6 125.5(5) . .
O7 C27 C16 117.5(5) . .
O6 C27 C16 116.9(5) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mn1 O6 2.112(4) 1_565
Mn1 O9 2.120(4) 2_776
Mn1 O1 2.192(5) .
Mn1 N5 2.231(5) 1_664
Mn1 O8 2.237(4) .
Mn1 H2W 2.14(15) .
Mn2 N1 2.175(4) 2_777
Mn2 N1 2.175(4) .
Mn2 O4 2.221(4) 2_777
Mn2 O4 2.221(4) .
Mn2 O3 2.288(4) 1_455
Mn2 O3 2.288(4) 2_877
N1 C1 1.318(7) .
N1 C3 1.363(7) .
N2 C1 1.361(7) .
N2 C2 1.391(7) .
N2 C4 1.430(6) .
N3 C5 1.332(7) .
N3 C6 1.352(7) .
N4 C9 1.364(7) .
N4 C11 1.366(7) .
N4 C7 1.432(7) .
N5 C9 1.318(7) .
N5 C10 1.389(7) .
N5 Mn1 2.231(5) 1_446
O1 H2W 0.80(15) .
O1 H1W 0.76(8) .
O2 C25 1.291(6) .
O2 H2 0.8200 .
O3 C25 1.238(6) .
O3 Mn2 2.288(4) 1_655
O4 C12 1.254(6) .
O5 C12 1.252(6) .
O6 C27 1.274(7) .
O6 Mn1 2.112(4) 1_545
O7 C27 1.241(7) .
O8 C26 1.257(6) .
O9 C26 1.261(6) .
O9 Mn1 2.120(4) 2_776
C1 H1A 0.9300 .
C2 C3 1.346(7) .
C2 H2A 0.9300 .
C3 H3 0.9300 .
C4 C5 1.387(8) .
C4 C8 1.387(7) .
C5 H5 0.9300 .
C6 C7 1.386(8) .
C6 H6 0.9300 .
C7 C8 1.390(7) .
C8 H8 0.9300 .
C9 H9 0.9300 .
C10 C11 1.362(8) .
C10 H10 0.9300 .
C11 H11 0.9300 .
C12 C13 1.518(7) .
C13 C18 1.399(7) .
C13 C14 1.400(7) .
C14 C15 1.394(7) .
C14 C19 1.494(7) .
C15 C16 1.390(7) .
C15 H15 0.9300 .
C16 C17 1.384(7) .
C16 C27 1.518(7) .
C17 C18 1.392(7) .
C17 H17 0.9300 .
C18 H18 0.9300 .
C19 C20 1.392(7) .
C19 C24 1.394(7) .
C20 C21 1.406(7) .
C20 H20 0.9300 .
C21 C22 1.398(7) .
C21 C25 1.497(7) .
C22 C23 1.396(7) .
C22 H22 0.9300 .
C23 C24 1.412(7) .
C23 C26 1.500(7) .
C24 H24 0.9300 .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O2 H2 O5 0.82 1.66 2.441(5) 158.3 2_877
O1 H2W O8 0.80(15) 2.49(14) 3.066(7) 129(13) .
O1 H1W O7 0.76(8) 1.88(8) 2.629(7) 170(7) 2_766
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
N1 Mn2 N1 C1 21(100) 2_777
O4 Mn2 N1 C1 140.5(5) 2_777
O4 Mn2 N1 C1 -39.5(5) .
O3 Mn2 N1 C1 46.2(5) 1_455
O3 Mn2 N1 C1 -133.8(5) 2_877
N1 Mn2 N1 C3 -169(100) 2_777
O4 Mn2 N1 C3 -49.0(4) 2_777
O4 Mn2 N1 C3 131.0(4) .
O3 Mn2 N1 C3 -143.4(4) 1_455
O3 Mn2 N1 C3 36.6(4) 2_877
N1 Mn2 O4 C12 130.9(5) 2_777
N1 Mn2 O4 C12 -49.1(5) .
O4 Mn2 O4 C12 -102(100) 2_777
O3 Mn2 O4 C12 -140.0(5) 1_455
O3 Mn2 O4 C12 40.0(5) 2_877
O6 Mn1 O8 C26 107.8(4) 1_565
O9 Mn1 O8 C26 0.3(4) 2_776
O1 Mn1 O8 C26 -83.9(4) .
N5 Mn1 O8 C26 -166.3(3) 1_664
C3 N1 C1 N2 -0.2(6) .
Mn2 N1 C1 N2 171.6(4) .
C2 N2 C1 N1 -0.1(6) .
C4 N2 C1 N1 -175.4(5) .
C1 N2 C2 C3 0.5(6) .
C4 N2 C2 C3 175.7(5) .
N2 C2 C3 N1 -0.6(6) .
C1 N1 C3 C2 0.6(6) .
Mn2 N1 C3 C2 -171.6(4) .
C1 N2 C4 C5 23.4(8) .
C2 N2 C4 C5 -150.9(5) .
C1 N2 C4 C8 -158.8(5) .
C2 N2 C4 C8 26.8(8) .
C6 N3 C5 C4 -3.7(8) .
C8 C4 C5 N3 6.1(8) .
N2 C4 C5 N3 -176.1(5) .
C5 N3 C6 C7 -3.1(8) .
N3 C6 C7 C8 7.4(8) .
N3 C6 C7 N4 -175.3(5) .
C9 N4 C7 C6 25.8(8) .
C11 N4 C7 C6 -151.7(5) .
C9 N4 C7 C8 -156.9(5) .
C11 N4 C7 C8 25.5(8) .
C5 C4 C8 C7 -1.6(7) .
N2 C4 C8 C7 -179.3(4) .
C6 C7 C8 C4 -4.8(7) .
N4 C7 C8 C4 178.0(5) .
C10 N5 C9 N4 0.2(7) .
Mn1 N5 C9 N4 178.8(4) 1_446
C11 N4 C9 N5 0.6(7) .
C7 N4 C9 N5 -177.4(5) .
C9 N5 C10 C11 -0.8(6) .
Mn1 N5 C10 C11 -179.5(4) 1_446
C9 N4 C11 C10 -1.0(6) .
C7 N4 C11 C10 176.9(5) .
N5 C10 C11 N4 1.2(6) .
Mn2 O4 C12 O5 0.4(8) .
Mn2 O4 C12 C13 177.3(3) .
O5 C12 C13 C18 55.8(6) .
O4 C12 C13 C18 -121.5(5) .
O5 C12 C13 C14 -125.5(5) .
O4 C12 C13 C14 57.2(7) .
C18 C13 C14 C15 -0.8(7) .
C12 C13 C14 C15 -179.5(5) .
C18 C13 C14 C19 -177.2(5) .
C12 C13 C14 C19 4.1(7) .
C13 C14 C15 C16 3.2(7) .
C19 C14 C15 C16 179.8(4) .
C14 C15 C16 C17 -2.4(8) .
C14 C15 C16 C27 -179.0(5) .
C15 C16 C17 C18 -0.8(8) .
C27 C16 C17 C18 175.8(5) .
C16 C17 C18 C13 3.2(8) .
C14 C13 C18 C17 -2.4(7) .
C12 C13 C18 C17 176.4(5) .
C15 C14 C19 C20 -130.1(5) .
C13 C14 C19 C20 46.2(7) .
C15 C14 C19 C24 48.9(7) .
C13 C14 C19 C24 -134.7(5) .
C24 C19 C20 C21 -0.8(7) .
C14 C19 C20 C21 178.3(5) .
C19 C20 C21 C22 1.9(7) .
C19 C20 C21 C25 179.6(4) .
C20 C21 C22 C23 -1.5(7) .
C25 C21 C22 C23 -179.0(4) .
C21 C22 C23 C24 -0.2(7) .
C21 C22 C23 C26 171.1(4) .
C20 C19 C24 C23 -0.9(7) .
C14 C19 C24 C23 -180.0(4) .
C22 C23 C24 C19 1.4(7) .
C26 C23 C24 C19 -170.1(5) .
Mn2 O3 C25 O2 -26.8(9) 1_655
Mn2 O3 C25 C21 152.6(4) 1_655
C22 C21 C25 O3 -154.5(5) .
C20 C21 C25 O3 28.0(7) .
C22 C21 C25 O2 25.0(7) .
C20 C21 C25 O2 -152.5(5) .
Mn1 O8 C26 O9 4.9(6) .
Mn1 O8 C26 C23 -171.3(4) .
Mn1 O9 C26 O8 -159.6(18) 2_776
Mn1 O9 C26 C23 17(2) 2_776
C22 C23 C26 O8 7.3(7) .
C24 C23 C26 O8 178.5(5) .
C22 C23 C26 O9 -169.0(5) .
C24 C23 C26 O9 2.3(7) .
Mn1 O6 C27 O7 -13.4(9) 1_545
Mn1 O6 C27 C16 163.6(3) 1_545
C17 C16 C27 O7 27.0(7) .
C15 C16 C27 O7 -156.4(5) .
C17 C16 C27 O6 -150.3(5) .
C15 C16 C27 O6 26.3(7) .
