#------------------------------------------------------------------------------
#$Date: 2016-03-26 20:57:10 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180457 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/26/7212600.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_7212600
loop_
_publ_author_name
'Su, Zhi'
'Song, You'
'Bai, Zheng-Shuai'
'Fan, Jian'
'Liu, Guang-Xiang'
'Sun, Wei-Yin'
_publ_section_title
;
 Unprecedented three-dimensional 10-connected bct nets based on trinuclear
 secondary building units and their magnetic behavior
;
_journal_issue                   12
_journal_name_full               CrystEngComm
_journal_page_first              4339
_journal_paper_doi               10.1039/c002366c
_journal_volume                  12
_journal_year                    2010
_chemical_formula_moiety         'C48 H47.82 Mn3 N12 O14.92'
_chemical_formula_sum            'C48 H47.82 Mn3 N12 O14.92'
_chemical_formula_weight         1196.34
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 108.4240(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   18.3958(16)
_cell_length_b                   8.4767(7)
_cell_length_c                   16.6419(14)
_cell_measurement_reflns_used    6752
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.32
_cell_measurement_theta_min      2.33
_cell_volume                     2462.1(4)
_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      293(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_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  0.0415
_diffrn_reflns_av_sigmaI/netI    0.0359
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            12096
_diffrn_reflns_theta_full        25.25
_diffrn_reflns_theta_max         25.25
_diffrn_reflns_theta_min         2.33
_exptl_absorpt_coefficient_mu    0.842
_exptl_absorpt_correction_T_max  0.9206
_exptl_absorpt_correction_T_min  0.7863
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs,bruker(2000)
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.614
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1216
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.748
_refine_diff_density_min         -0.514
_refine_diff_density_rms         0.072
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.061
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     359
_refine_ls_number_reflns         4444
_refine_ls_number_restraints     80
_refine_ls_restrained_S_all      1.111
_refine_ls_R_factor_all          0.0447
_refine_ls_R_factor_gt           0.0409
_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)+(0.0529P)²+2.0993P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1025
_refine_ls_wR_factor_ref         0.1049
_reflns_number_gt                4052
_reflns_number_total             4444
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c002366c.txt
_cod_data_source_block           2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7212600
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
C1 C 0.58135(17) 0.6970(4) 0.06652(18) 0.0308(7) Uani 1 1 d .
C2 C 0.64670(17) 0.6322(3) 0.12371(18) 0.0299(6) Uani 1 1 d .
H2 H 0.6950 0.6547 0.1200 0.036 Uiso 1 1 calc R
C3 C 0.63837(16) 0.5341(3) 0.18589(17) 0.0264(6) Uani 1 1 d .
C4 C 0.56753(16) 0.4983(3) 0.19231(18) 0.0282(6) Uani 1 1 d .
H4 H 0.5631 0.4320 0.2351 0.034 Uiso 1 1 calc R
C5 C 0.50317(16) 0.5618(3) 0.13453(18) 0.0283(6) Uani 1 1 d .
C6 C 0.50963(17) 0.6627(4) 0.07173(19) 0.0346(7) Uani 1 1 d .
H6 H 0.4661 0.7069 0.0334 0.042 Uiso 1 1 calc R
C7 C 0.6569(3) 0.8472(6) -0.0084(3) 0.0752(12) Uani 1 1 d U
H7 H 0.7059 0.8136 0.0225 0.090 Uiso 1 1 calc R
C8 C 0.6387(3) 0.9508(6) -0.0728(3) 0.0774(12) Uani 1 1 d U
H8 H 0.6741 1.0034 -0.0925 0.093 Uiso 1 1 calc R
C9 C 0.5348(2) 0.8753(5) -0.0587(2) 0.0518(9) Uani 1 1 d U
H9 H 0.4827 0.8621 -0.0676 0.062 Uiso 1 1 calc R
C10 C 0.77319(17) 0.5427(4) 0.2853(2) 0.0360(7) Uani 1 1 d .
H10 H 0.7867 0.6454 0.2766 0.043 Uiso 1 1 calc R
C11 C 0.81656(17) 0.4361(4) 0.3386(2) 0.0359(7) Uani 1 1 d .
H11 H 0.8663 0.4542 0.3738 0.043 Uiso 1 1 calc R
C12 C 0.71042(16) 0.3211(3) 0.27765(18) 0.0292(6) Uani 1 1 d .
H12 H 0.6717 0.2459 0.2613 0.035 Uiso 1 1 calc R
C13 C 0.4166(2) 0.4475(5) 0.2092(3) 0.0530(9) Uani 1 1 d U
H13 H 0.4531 0.4078 0.2573 0.064 Uiso 1 1 calc R
C14 C 0.34051(19) 0.4402(4) 0.1906(2) 0.0495(8) Uani 1 1 d U
H14 H 0.3151 0.3909 0.2240 0.059 Uiso 1 1 calc R
C15 C 0.36080(17) 0.5663(4) 0.0898(2) 0.0356(7) Uani 1 1 d U
H15 H 0.3534 0.6243 0.0404 0.043 Uiso 1 1 calc R
C16 C 0.07696(15) 0.4456(3) 0.25312(15) 0.0185(5) Uani 1 1 d .
H16 H 0.0220 0.4253 0.2276 0.022 Uiso 1 1 calc R
C17 C 0.11483(16) 0.3005(3) 0.30272(16) 0.0216(6) Uani 1 1 d .
H17A H 0.1027 0.2094 0.2656 0.026 Uiso 1 1 calc R
H17B H 0.1700 0.3146 0.3209 0.026 Uiso 1 1 calc R
C18 C 0.08994(14) 0.2678(3) 0.38001(15) 0.0178(5) Uani 1 1 d .
H18 H 0.0357 0.2379 0.3609 0.021 Uiso 1 1 calc R
C19 C 0.09990(16) 0.4145(3) 0.43650(16) 0.0224(6) Uani 1 1 d .
H19A H 0.0794 0.3930 0.4824 0.027 Uiso 1 1 calc R
H19B H 0.1541 0.4375 0.4611 0.027 Uiso 1 1 calc R
C20 C 0.05930(15) 0.5577(3) 0.38686(15) 0.0202(5) Uani 1 1 d .
H20 H 0.0042 0.5360 0.3655 0.024 Uiso 1 1 calc R
C21 C 0.08797(16) 0.5899(3) 0.31118(15) 0.0212(6) Uani 1 1 d .
H21A H 0.0602 0.6788 0.2791 0.025 Uiso 1 1 calc R
H21B H 0.1419 0.6175 0.3317 0.025 Uiso 1 1 calc R
C22 C 0.11071(15) 0.4856(3) 0.18387(15) 0.0191(5) Uani 1 1 d .
C23 C 0.13611(15) 0.1346(3) 0.43326(15) 0.0194(5) Uani 1 1 d .
C24 C 0.07253(15) 0.7031(3) 0.44347(15) 0.0211(6) Uani 1 1 d .
Mn1 Mn 0.18325(2) 0.58726(5) 0.07876(2) 0.01861(13) Uani 1 1 d .
Mn2 Mn 0.0000 0.5000 0.0000 0.01674(15) Uani 1 2 d S
N1 N 0.5622(2) 0.9681(4) -0.1048(2) 0.0616(8) Uani 1 1 d U
N2 N 0.58959(16) 0.8007(3) 0.00291(17) 0.0423(7) Uani 1 1 d U
N3 N 0.77761(13) 0.2963(3) 0.33434(15) 0.0293(5) Uani 1 1 d .
N4 N 0.70436(13) 0.4687(3) 0.24595(15) 0.0269(5) Uani 1 1 d .
N5 N 0.30507(13) 0.5156(3) 0.11529(16) 0.0315(5) Uani 1 1 d U
N6 N 0.43021(13) 0.5261(3) 0.14246(16) 0.0323(6) Uani 1 1 d U
O1 O 0.17597(11) 0.4389(2) 0.18789(12) 0.0285(4) Uani 1 1 d .
O2 O 0.07313(10) 0.5766(2) 0.12392(10) 0.0206(4) Uani 1 1 d .
O3 O 0.19646(12) 0.0899(3) 0.42381(14) 0.0383(5) Uani 1 1 d .
O4 O 0.11086(10) 0.0778(2) 0.49057(11) 0.0214(4) Uani 1 1 d .
O5 O 0.01508(11) 0.7786(2) 0.44553(13) 0.0314(5) Uani 1 1 d .
O6 O 0.14090(11) 0.7364(2) 0.48479(12) 0.0279(4) Uani 1 1 d .
O7 O 0.2650(2) 0.7912(4) 0.41723(19) 0.0766(9) Uani 1 1 d .
O8 O 0.3574(8) 0.613(2) 0.3883(10) 0.227(12) Uani 0.461(16) 1 d P
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
C6 C1 C2 120.7(3) . .
C6 C1 N2 120.4(3) . .
C2 C1 N2 118.8(3) . .
C3 C2 C1 118.5(3) . .
C3 C2 H2 120.7 . .
C1 C2 H2 120.7 . .
C2 C3 C4 121.8(3) . .
C2 C3 N4 119.5(3) . .
C4 C3 N4 118.7(2) . .
C3 C4 C5 119.1(3) . .
C3 C4 H4 120.5 . .
C5 C4 H4 120.5 . .
C4 C5 C6 120.6(3) . .
C4 C5 N6 118.7(3) . .
C6 C5 N6 120.7(3) . .
C1 C6 C5 119.3(3) . .
C1 C6 H6 120.3 . .
C5 C6 H6 120.3 . .
C8 C7 N2 106.8(4) . .
C8 C7 H7 126.6 . .
N2 C7 H7 126.6 . .
C7 C8 N1 110.7(4) . .
C7 C8 H8 124.7 . .
N1 C8 H8 124.7 . .
N1 C9 N2 113.3(4) . .
N1 C9 H9 123.4 . .
N2 C9 H9 123.4 . .
C11 C10 N4 105.9(3) . .
C11 C10 H10 127.1 . .
N4 C10 H10 127.1 . .
C10 C11 N3 110.8(3) . .
C10 C11 H11 124.6 . .
N3 C11 H11 124.6 . .
N3 C12 N4 111.8(3) . .
N3 C12 H12 124.1 . .
N4 C12 H12 124.1 . .
C14 C13 N6 106.2(3) . .
C14 C13 H13 126.9 . .
N6 C13 H13 126.9 . .
C13 C14 N5 110.5(3) . .
C13 C14 H14 124.8 . .
N5 C14 H14 124.8 . .
N5 C15 N6 112.8(3) . .
N5 C15 H15 123.6 . .
N6 C15 H15 123.6 . .
C22 C16 C17 111.5(2) . .
C22 C16 C21 107.3(2) . .
C17 C16 C21 110.9(2) . .
C22 C16 H16 109.0 . .
C17 C16 H16 109.0 . .
C21 C16 H16 109.0 . .
C18 C17 C16 113.4(2) . .
C18 C17 H17A 108.9 . .
C16 C17 H17A 108.9 . .
C18 C17 H17B 108.9 . .
C16 C17 H17B 108.9 . .
H17A C17 H17B 107.7 . .
C23 C18 C17 111.5(2) . .
C23 C18 C19 107.98(19) . .
C17 C18 C19 111.2(2) . .
C23 C18 H18 108.7 . .
C17 C18 H18 108.7 . .
C19 C18 H18 108.7 . .
C20 C19 C18 111.7(2) . .
C20 C19 H19A 109.3 . .
C18 C19 H19A 109.3 . .
C20 C19 H19B 109.3 . .
C18 C19 H19B 109.3 . .
H19A C19 H19B 107.9 . .
C24 C20 C19 110.7(2) . .
C24 C20 C21 109.5(2) . .
C19 C20 C21 110.5(2) . .
C24 C20 H20 108.7 . .
C19 C20 H20 108.7 . .
C21 C20 H20 108.7 . .
C16 C21 C20 111.3(2) . .
C16 C21 H21A 109.4 . .
C20 C21 H21A 109.4 . .
C16 C21 H21B 109.4 . .
C20 C21 H21B 109.4 . .
H21A C21 H21B 108.0 . .
O1 C22 O2 120.6(2) . .
O1 C22 C16 120.6(2) . .
O2 C22 C16 118.7(2) . .
O3 C23 O4 122.4(2) . .
O3 C23 C18 121.0(2) . .
O4 C23 C18 116.5(2) . .
O5 C24 O6 125.4(2) . .
O5 C24 C20 117.5(2) . .
O6 C24 C20 117.1(2) . .
O6 Mn1 O4 87.23(7) 4_575 4_565
O6 Mn1 N5 119.92(9) 4_575 .
O4 Mn1 N5 111.27(8) 4_565 .
O6 Mn1 O1 152.45(7) 4_575 .
O4 Mn1 O1 90.29(7) 4_565 .
N5 Mn1 O1 86.46(8) . .
O6 Mn1 N3 83.56(8) 4_575 2_655
O4 Mn1 N3 161.65(8) 4_565 2_655
N5 Mn1 N3 87.08(9) . 2_655
O1 Mn1 N3 90.57(8) . 2_655
O6 Mn1 O2 96.25(7) 4_575 .
O4 Mn1 O2 77.62(6) 4_565 .
N5 Mn1 O2 142.52(8) . .
O1 Mn1 O2 56.51(6) . .
N3 Mn1 O2 87.62(8) 2_655 .
O5 Mn2 O5 180 4_575 2_545
O5 Mn2 O2 90.90(7) 4_575 .
O5 Mn2 O2 89.10(7) 2_545 .
O5 Mn2 O2 89.10(7) 4_575 3_565
O5 Mn2 O2 90.90(7) 2_545 3_565
O2 Mn2 O2 180 . 3_565
O5 Mn2 O4 89.17(7) 4_575 4_565
O5 Mn2 O4 90.83(7) 2_545 4_565
O2 Mn2 O4 81.22(6) . 4_565
O2 Mn2 O4 98.78(6) 3_565 4_565
O5 Mn2 O4 90.83(7) 4_575 2
O5 Mn2 O4 89.17(7) 2_545 2
O2 Mn2 O4 98.78(6) . 2
O2 Mn2 O4 81.22(6) 3_565 2
O4 Mn2 O4 180 4_565 2
C9 N1 C8 104.6(3) . .
C9 N2 C7 104.6(3) . .
C9 N2 C1 128.9(3) . .
C7 N2 C1 126.6(3) . .
C12 N3 C11 104.8(2) . .
C12 N3 Mn1 128.6(2) . 2_645
C11 N3 Mn1 126.02(18) . 2_645
C12 N4 C10 106.6(2) . .
C12 N4 C3 125.8(2) . .
C10 N4 C3 127.6(3) . .
C15 N5 C14 104.8(3) . .
C15 N5 Mn1 130.8(2) . .
C14 N5 Mn1 121.7(2) . .
C15 N6 C13 105.7(3) . .
C15 N6 C5 128.0(3) . .
C13 N6 C5 126.3(3) . .
C22 O1 Mn1 94.64(15) . .
C22 O2 Mn2 125.48(15) . .
C22 O2 Mn1 87.99(15) . .
Mn2 O2 Mn1 92.59(6) . .
C23 O4 Mn1 117.37(16) . 4_566
C23 O4 Mn2 136.92(16) . 2_545
Mn1 O4 Mn2 98.28(7) 4_566 2_545
C24 O5 Mn2 133.41(18) . 2
C24 O6 Mn1 129.04(17) . 4_576
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C6 1.380(4) .
C1 C2 1.389(4) .
C1 N2 1.421(4) .
C2 C3 1.373(4) .
C2 H2 0.9300 .
C3 C4 1.375(4) .
C3 N4 1.419(3) .
C4 C5 1.377(4) .
C4 H4 0.9300 .
C5 C6 1.384(4) .
C5 N6 1.422(4) .
C6 H6 0.9300 .
C7 C8 1.343(6) .
C7 N2 1.369(5) .
C7 H7 0.9300 .
C8 N1 1.346(6) .
C8 H8 0.9300 .
C9 N1 1.306(5) .
C9 N2 1.347(4) .
C9 H9 0.9300 .
C10 C11 1.339(4) .
C10 N4 1.379(4) .
C10 H10 0.9300 .
C11 N3 1.375(4) .
C11 H11 0.9300 .
C12 N3 1.313(4) .
C12 N4 1.349(4) .
C12 H12 0.9300 .
C13 C14 1.336(5) .
C13 N6 1.385(4) .
C13 H13 0.9300 .
C14 N5 1.375(4) .
C14 H14 0.9300 .
C15 N5 1.300(4) .
C15 N6 1.344(4) .
C15 H15 0.9300 .
C16 C22 1.510(3) .
C16 C17 1.522(4) .
C16 C21 1.532(3) .
C16 H16 0.9800 .
C17 C18 1.521(3) .
C17 H17A 0.9700 .
C17 H17B 0.9700 .
C18 C23 1.519(3) .
C18 C19 1.534(3) .
C18 H18 0.9800 .
C19 C20 1.525(4) .
C19 H19A 0.9700 .
C19 H19B 0.9700 .
C20 C24 1.523(3) .
C20 C21 1.536(3) .
C20 H20 0.9800 .
C21 H21A 0.9700 .
C21 H21B 0.9700 .
C22 O1 1.246(3) .
C22 O2 1.277(3) .
C23 O3 1.229(3) .
C23 O4 1.279(3) .
C24 O5 1.245(3) .
C24 O6 1.260(3) .
Mn1 O6 2.1250(18) 4_575
Mn1 O4 2.1565(17) 4_565
Mn1 N5 2.213(2) .
Mn1 O1 2.2478(19) .
Mn1 N3 2.256(2) 2_655
Mn1 O2 2.3746(19) .
Mn2 O5 2.1401(19) 4_575
Mn2 O5 2.1401(19) 2_545
Mn2 O2 2.1749(17) .
Mn2 O2 2.1749(17) 3_565
Mn2 O4 2.1958(18) 4_565
Mn2 O4 2.1958(18) 2
N3 Mn1 2.256(2) 2_645
O4 Mn1 2.1565(17) 4_566
O4 Mn2 2.1958(18) 2_545
O5 Mn2 2.1401(19) 2
O6 Mn1 2.1250(18) 4_576
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
C6 C1 C2 C3 -0.5(5) . .
N2 C1 C2 C3 178.9(3) . .
C1 C2 C3 C4 0.5(5) . .
C1 C2 C3 N4 -178.9(3) . .
C2 C3 C4 C5 0.4(5) . .
N4 C3 C4 C5 179.7(3) . .
C3 C4 C5 C6 -1.2(5) . .
C3 C4 C5 N6 -179.0(3) . .
C2 C1 C6 C5 -0.3(5) . .
N2 C1 C6 C5 -179.7(3) . .
C4 C5 C6 C1 1.2(5) . .
N6 C5 C6 C1 179.0(3) . .
N2 C7 C8 N1 -2.1(7) . .
N4 C10 C11 N3 0.2(4) . .
N6 C13 C14 N5 -1.8(5) . .
C22 C16 C17 C18 172.7(2) . .
C21 C16 C17 C18 53.1(3) . .
C16 C17 C18 C23 -173.1(2) . .
C16 C17 C18 C19 -52.5(3) . .
C23 C18 C19 C20 176.5(2) . .
C17 C18 C19 C20 53.9(3) . .
C18 C19 C20 C24 -177.9(2) . .
C18 C19 C20 C21 -56.4(3) . .
C22 C16 C21 C20 -176.9(2) . .
C17 C16 C21 C20 -54.8(3) . .
C24 C20 C21 C16 179.1(2) . .
C19 C20 C21 C16 56.9(3) . .
C17 C16 C22 O1 -22.2(3) . .
C21 C16 C22 O1 99.5(3) . .
C17 C16 C22 O2 162.2(2) . .
C21 C16 C22 O2 -76.1(3) . .
C17 C18 C23 O3 15.9(3) . .
C19 C18 C23 O3 -106.5(3) . .
C17 C18 C23 O4 -167.5(2) . .
C19 C18 C23 O4 70.1(3) . .
C19 C20 C24 O5 -127.6(3) . .
C21 C20 C24 O5 110.4(3) . .
C19 C20 C24 O6 52.1(3) . .
C21 C20 C24 O6 -70.0(3) . .
N2 C9 N1 C8 1.3(5) . .
C7 C8 N1 C9 0.5(6) . .
N1 C9 N2 C7 -2.5(5) . .
N1 C9 N2 C1 177.2(3) . .
C8 C7 N2 C9 2.7(6) . .
C8 C7 N2 C1 -177.0(4) . .
C6 C1 N2 C9 -1.1(5) . .
C2 C1 N2 C9 179.5(4) . .
C6 C1 N2 C7 178.6(4) . .
C2 C1 N2 C7 -0.8(6) . .
N4 C12 N3 C11 -0.2(3) . .
N4 C12 N3 Mn1 171.28(19) . 2_645
C10 C11 N3 C12 0.0(4) . .
C10 C11 N3 Mn1 -171.8(2) . 2_645
N3 C12 N4 C10 0.4(3) . .
N3 C12 N4 C3 -177.7(3) . .
C11 C10 N4 C12 -0.3(4) . .
C11 C10 N4 C3 177.7(3) . .
C2 C3 N4 C12 -141.6(3) . .
C4 C3 N4 C12 39.1(4) . .
C2 C3 N4 C10 40.7(5) . .
C4 C3 N4 C10 -138.6(3) . .
N6 C15 N5 C14 1.4(4) . .
N6 C15 N5 Mn1 162.7(2) . .
C13 C14 N5 C15 0.3(4) . .
C13 C14 N5 Mn1 -163.1(3) . .
O6 Mn1 N5 C15 1.7(3) 4_575 .
O4 Mn1 N5 C15 101.1(3) 4_565 .
O1 Mn1 N5 C15 -169.9(3) . .
N3 Mn1 N5 C15 -79.2(3) 2_655 .
O2 Mn1 N5 C15 -161.4(2) . .
O6 Mn1 N5 C14 160.3(2) 4_575 .
O4 Mn1 N5 C14 -100.2(3) 4_565 .
O1 Mn1 N5 C14 -11.3(3) . .
N3 Mn1 N5 C14 79.4(3) 2_655 .
O2 Mn1 N5 C14 -2.8(3) . .
N5 C15 N6 C13 -2.5(4) . .
N5 C15 N6 C5 -179.8(3) . .
C14 C13 N6 C15 2.5(4) . .
C14 C13 N6 C5 179.9(3) . .
C4 C5 N6 C15 -174.8(3) . .
C6 C5 N6 C15 7.3(5) . .
C4 C5 N6 C13 8.3(5) . .
C6 C5 N6 C13 -169.5(3) . .
O2 C22 O1 Mn1 5.5(2) . .
C16 C22 O1 Mn1 -170.0(2) . .
O6 Mn1 O1 C22 6.6(3) 4_575 .
O4 Mn1 O1 C22 -77.97(16) 4_565 .
N5 Mn1 O1 C22 170.74(17) . .
N3 Mn1 O1 C22 83.70(16) 2_655 .
O2 Mn1 O1 C22 -3.06(14) . .
O1 C22 O2 Mn2 86.5(3) . .
C16 C22 O2 Mn2 -97.9(2) . .
O1 C22 O2 Mn1 -5.2(2) . .
C16 C22 O2 Mn1 170.4(2) . .
O5 Mn2 O2 C22 -155.4(2) 4_575 .
O5 Mn2 O2 C22 24.6(2) 2_545 .
O4 Mn2 O2 C22 -66.4(2) 4_565 .
O4 Mn2 O2 C22 113.6(2) 2 .
O5 Mn2 O2 Mn1 -66.02(7) 4_575 .
O5 Mn2 O2 Mn1 113.98(7) 2_545 .
O4 Mn2 O2 Mn1 23.01(6) 4_565 .
O4 Mn2 O2 Mn1 -156.99(6) 2 .
O6 Mn1 O2 C22 -172.54(14) 4_575 .
O4 Mn1 O2 C22 101.69(14) 4_565 .
N5 Mn1 O2 C22 -7.2(2) . .
O1 Mn1 O2 C22 2.98(13) . .
N3 Mn1 O2 C22 -89.28(15) 2_655 .
O6 Mn1 O2 Mn2 62.02(7) 4_575 .
O4 Mn1 O2 Mn2 -23.75(6) 4_565 .
N5 Mn1 O2 Mn2 -132.65(12) . .
O1 Mn1 O2 Mn2 -122.46(9) . .
N3 Mn1 O2 Mn2 145.28(8) 2_655 .
O3 C23 O4 Mn1 5.2(3) . 4_566
C18 C23 O4 Mn1 -171.36(15) . 4_566
O3 C23 O4 Mn2 -137.1(2) . 2_545
C18 C23 O4 Mn2 46.3(3) . 2_545
O6 C24 O5 Mn2 8.9(4) . 2
C20 C24 O5 Mn2 -171.51(17) . 2
O5 C24 O6 Mn1 6.2(4) . 4_576
C20 C24 O6 Mn1 -173.38(16) . 4_576
