#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/07/7210788.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_7210788
loop_
_publ_author_name
'Chen, Huan-Huan'
'Yang, Jin'
'Liu, Ying-Ying'
'Ma, Jian-Fang'
_publ_section_title
;
 A series of tetranuclear-cluster-containing complexes based on
 pendent-arm macrocyclic ligand and different carboxylates: syntheses,
 structures, photoluminescence, and magnetic properties
;
_journal_issue                   25
_journal_name_full               CrystEngComm
_journal_page_first              5168
_journal_paper_doi               10.1039/c3ce40239h
_journal_volume                  15
_journal_year                    2013
_chemical_formula_moiety         'C36 H52 Mn4 N4 O18 '
_chemical_formula_sum            'C36 H52 Mn4 N4 O18'
_chemical_formula_weight         1048.58
_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                114.506(7)
_cell_angle_beta                 109.613(7)
_cell_angle_gamma                97.489(6)
_cell_formula_units_Z            1
_cell_length_a                   10.2072(9)
_cell_length_b                   10.7719(7)
_cell_length_c                   11.5617(8)
_cell_measurement_reflns_used    5099
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.9
_cell_measurement_theta_min      4.3
_cell_volume                     1034.31(18)
_computing_cell_refinement       CrysAlis
_computing_data_collection       'CrysAlis (Oxford Diffraction, 2006)'
_computing_data_reduction        CrysAlis
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 10.0
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.853
_diffrn_measurement_device_type  'Oxford Diffraction Gemini R Ultra'
_diffrn_measurement_method       'ω 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  0.0446
_diffrn_reflns_av_sigmaI/netI    0.0732
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            11577
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         29.89
_diffrn_reflns_theta_min         4.25
_exptl_absorpt_coefficient_mu    1.275
_exptl_absorpt_correction_T_max  0.744
_exptl_absorpt_correction_T_min  0.697
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis (Oxford Diffraction, 2006)
;
_exptl_crystal_colour            orange-yellow
_exptl_crystal_density_diffrn    1.683
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             540
_exptl_crystal_size_max          0.346
_exptl_crystal_size_mid          0.242
_exptl_crystal_size_min          0.232
_refine_diff_density_max         0.833
_refine_diff_density_min         -0.389
_refine_diff_density_rms         0.101
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.919
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     292
_refine_ls_number_reflns         5099
_refine_ls_number_restraints     300
_refine_ls_restrained_S_all      0.912
_refine_ls_R_factor_all          0.0887
_refine_ls_R_factor_gt           0.0497
_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)+(0.0748P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1178
_refine_ls_wR_factor_ref         0.1285
_reflns_number_gt                3107
_reflns_number_total             5099
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3ce40239h.txt
_cod_data_source_block           Compound-2
_cod_original_cell_volume        1034.30(13)
_cod_original_sg_symbol_Hall     '-P 1 '
_cod_database_code               7210788
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 1.14457(5) 0.27998(5) 0.36045(5) 0.02907(15) Uani 1 1 d .
Mn2 Mn 0.89026(5) 0.37638(5) 0.48954(5) 0.02420(14) Uani 1 1 d .
C1 C 0.5315(5) 0.3659(6) -0.1394(4) 0.0659(13) Uani 1 1 d U
H1A H 0.5684 0.4384 -0.1584 0.099 Uiso 1 1 calc R
H1B H 0.4481 0.3807 -0.1211 0.099 Uiso 1 1 calc R
H1C H 0.5029 0.2727 -0.2195 0.099 Uiso 1 1 calc R
C2 C 0.6491(4) 0.3751(4) -0.0126(4) 0.0438(9) Uani 1 1 d U
C3 C 0.7876(4) 0.4702(4) 0.0531(4) 0.0415(9) Uani 1 1 d U
H3 H 0.8077 0.5310 0.0187 0.050 Uiso 1 1 calc R
C4 C 0.9010(4) 0.4796(4) 0.1704(3) 0.0316(7) Uani 1 1 d U
C5 C 0.8702(4) 0.3910(3) 0.2238(3) 0.0274(7) Uani 1 1 d U
C6 C 0.7318(4) 0.2860(4) 0.1529(3) 0.0325(7) Uani 1 1 d U
C7 C 0.6241(4) 0.2825(4) 0.0372(4) 0.0407(9) Uani 1 1 d U
H7 H 0.5318 0.2149 -0.0079 0.049 Uiso 1 1 calc R
C8 C 0.7041(4) 0.1669(3) 0.1856(3) 0.0333(8) Uani 1 1 d U
H8A H 0.7866 0.1299 0.1943 0.040 Uiso 1 1 calc R
H8B H 0.6182 0.0896 0.1061 0.040 Uiso 1 1 calc R
C9 C 0.6648(4) 0.0770(4) 0.3345(4) 0.0378(8) Uani 1 1 d U
H9A H 0.7525 0.0490 0.3412 0.045 Uiso 1 1 calc R
H9B H 0.5834 -0.0012 0.2504 0.045 Uiso 1 1 calc R
C10 C 0.6392(4) 0.0937(4) 0.4617(4) 0.0410(9) Uani 1 1 d U
H10A H 0.6590 0.0150 0.4774 0.049 Uiso 1 1 calc R
H10B H 0.5359 0.0817 0.4369 0.049 Uiso 1 1 calc R
C11 C 0.7262(4) 0.2333(4) 0.6021(4) 0.0377(8) Uani 1 1 d U
H11A H 0.6767 0.3041 0.6009 0.045 Uiso 1 1 calc R
H11B H 0.7227 0.2152 0.6767 0.045 Uiso 1 1 calc R
C12 C 0.9448(4) 0.4305(4) 0.7787(4) 0.0351(8) Uani 1 1 d U
H12A H 0.9424 0.4033 0.8484 0.042 Uiso 1 1 calc R
H12B H 0.8816 0.4899 0.7744 0.042 Uiso 1 1 calc R
C13 C 0.9695(4) 0.1975(4) 0.6406(4) 0.0333(7) Uani 1 1 d U
H13A H 0.9037 0.0995 0.5859 0.040 Uiso 1 1 calc R
H13B H 1.0217 0.2174 0.7367 0.040 Uiso 1 1 calc R
C14 C 1.0786(4) 0.2110(3) 0.5808(3) 0.0298(7) Uani 1 1 d U
C15 C 0.5541(4) 0.2600(4) 0.3059(4) 0.0353(8) Uani 1 1 d U
H15A H 0.4992 0.2235 0.3455 0.042 Uiso 1 1 calc R
H15B H 0.4902 0.2233 0.2073 0.042 Uiso 1 1 calc R
C16 C 0.5981(3) 0.4224(3) 0.3819(3) 0.0290(7) Uani 1 1 d U
C17 C 1.0005(6) -0.0476(4) 0.1254(4) 0.0566(12) Uani 1 1 d U
C18 C 1.1379(7) -0.0755(6) 0.1210(6) 0.0831(17) Uani 1 1 d U
H18A H 1.1150 -0.1714 0.0471 0.125 Uiso 1 1 calc R
H18B H 1.2005 -0.0655 0.2097 0.125 Uiso 1 1 calc R
H18C H 1.1870 -0.0078 0.1033 0.125 Uiso 1 1 calc R
N1 N 0.6813(3) 0.2059(3) 0.3162(3) 0.0293(6) Uani 1 1 d .
N2 N 0.8819(3) 0.2974(3) 0.6391(3) 0.0303(6) Uani 1 1 d .
O1 O 0.9734(2) 0.4030(2) 0.3448(2) 0.0221(5) Uani 1 1 d .
O2 O 0.7305(2) 0.4900(2) 0.4776(2) 0.0318(5) Uani 1 1 d .
O3 O 0.5053(2) 0.4808(2) 0.3545(3) 0.0372(6) Uani 1 1 d .
O4 O 1.0127(3) 0.0730(3) 0.2160(3) 0.0535(8) Uani 1 1 d .
O5 O 0.8815(5) -0.1433(4) 0.0430(3) 0.1015(16) Uani 1 1 d .
O6 O 1.0568(2) 0.2752(2) 0.5075(2) 0.0322(5) Uani 1 1 d .
O7 O 1.1760(3) 0.1572(3) 0.6003(3) 0.0425(6) Uani 1 1 d .
O1W O 1.2188(3) 0.3172(3) 0.2232(2) 0.0397(6) Uani 1 1 d D
H1WA H 1.179(4) 0.252(3) 0.1371(17) 0.059 Uiso 1 1 d D
H1WB H 1.299(3) 0.378(3) 0.250(3) 0.059 Uiso 1 1 d D
O2W O 1.3364(3) 0.2340(3) 0.4806(3) 0.0378(6) Uani 1 1 d D
H2WA H 1.296(4) 0.200(4) 0.519(3) 0.057 Uiso 1 1 d D
H2WB H 1.394(4) 0.319(2) 0.535(3) 0.057 Uiso 1 1 d 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
O4 Mn1 O1W 96.03(11) . .
O4 Mn1 O6 89.80(10) . .
O1W Mn1 O6 170.02(10) . .
O4 Mn1 O2 174.31(10) . 2_766
O1W Mn1 O2 87.60(9) . 2_766
O6 Mn1 O2 86.00(9) . 2_766
O4 Mn1 O2W 98.80(11) . .
O1W Mn1 O2W 100.18(10) . .
O6 Mn1 O2W 86.87(9) . .
O2 Mn1 O2W 84.81(9) 2_766 .
O4 Mn1 O1 100.71(10) . .
O1W Mn1 O1 96.13(9) . .
O6 Mn1 O1 74.78(8) . .
O2 Mn1 O1 74.48(7) 2_766 .
O2W Mn1 O1 153.01(8) . .
O6 Mn2 O2 176.92(9) . .
O6 Mn2 O1 98.39(8) . 2_766
O2 Mn2 O1 78.66(8) . 2_766
O6 Mn2 O1 78.33(8) . .
O2 Mn2 O1 100.66(9) . .
O1 Mn2 O1 89.98(7) 2_766 .
O6 Mn2 N1 106.98(9) . .
O2 Mn2 N1 75.95(9) . .
O1 Mn2 N1 154.61(9) 2_766 .
O1 Mn2 N1 94.22(9) . .
O6 Mn2 N2 75.56(9) . .
O2 Mn2 N2 105.47(10) . .
O1 Mn2 N2 95.01(9) 2_766 .
O1 Mn2 N2 153.87(9) . .
N1 Mn2 N2 92.16(10) . .
O6 Mn2 Mn2 87.67(7) . 2_766
O2 Mn2 Mn2 89.58(7) . 2_766
O1 Mn2 Mn2 45.18(6) 2_766 2_766
O1 Mn2 Mn2 44.81(5) . 2_766
N1 Mn2 Mn2 133.54(8) . 2_766
N2 Mn2 Mn2 134.29(8) . 2_766
C2 C1 H1A 109.5 . .
C2 C1 H1B 109.5 . .
H1A C1 H1B 109.5 . .
C2 C1 H1C 109.5 . .
H1A C1 H1C 109.5 . .
H1B C1 H1C 109.5 . .
C3 C2 C7 117.2(3) . .
C3 C2 C1 121.5(4) . .
C7 C2 C1 121.2(4) . .
C2 C3 C4 122.9(4) . .
C2 C3 H3 118.6 . .
C4 C3 H3 118.6 . .
C5 C4 C3 118.6(3) . .
C5 C4 C12 121.7(3) . 2_766
C3 C4 C12 119.2(3) . 2_766
O1 C5 C4 121.2(3) . .
O1 C5 C6 119.1(3) . .
C4 C5 C6 119.6(3) . .
C7 C6 C5 118.7(3) . .
C7 C6 C8 119.2(3) . .
C5 C6 C8 121.6(3) . .
C2 C7 C6 122.7(4) . .
C2 C7 H7 118.6 . .
C6 C7 H7 118.6 . .
C6 C8 N1 116.0(3) . .
C6 C8 H8A 108.3 . .
N1 C8 H8A 108.3 . .
C6 C8 H8B 108.3 . .
N1 C8 H8B 108.3 . .
H8A C8 H8B 107.4 . .
N1 C9 C10 116.1(3) . .
N1 C9 H9A 108.3 . .
C10 C9 H9A 108.3 . .
N1 C9 H9B 108.3 . .
C10 C9 H9B 108.3 . .
H9A C9 H9B 107.4 . .
C9 C10 C11 118.8(3) . .
C9 C10 H10A 107.6 . .
C11 C10 H10A 107.6 . .
C9 C10 H10B 107.6 . .
C11 C10 H10B 107.6 . .
H10A C10 H10B 107.0 . .
N2 C11 C10 116.9(3) . .
N2 C11 H11A 108.1 . .
C10 C11 H11A 108.1 . .
N2 C11 H11B 108.1 . .
C10 C11 H11B 108.1 . .
H11A C11 H11B 107.3 . .
N2 C12 C4 116.3(3) . 2_766
N2 C12 H12A 108.2 . .
C4 C12 H12A 108.2 2_766 .
N2 C12 H12B 108.2 . .
C4 C12 H12B 108.2 2_766 .
H12A C12 H12B 107.4 . .
N2 C13 C14 112.3(3) . .
N2 C13 H13A 109.1 . .
C14 C13 H13A 109.1 . .
N2 C13 H13B 109.1 . .
C14 C13 H13B 109.1 . .
H13A C13 H13B 107.9 . .
O7 C14 O6 124.6(3) . .
O7 C14 C13 119.1(3) . .
O6 C14 C13 116.2(3) . .
N1 C15 C16 112.8(3) . .
N1 C15 H15A 109.0 . .
C16 C15 H15A 109.0 . .
N1 C15 H15B 109.0 . .
C16 C15 H15B 109.0 . .
H15A C15 H15B 107.8 . .
O3 C16 O2 124.3(3) . .
O3 C16 C15 119.1(3) . .
O2 C16 C15 116.5(3) . .
O5 C17 O4 123.1(5) . .
O5 C17 C18 120.0(4) . .
O4 C17 C18 116.9(4) . .
C17 C18 H18A 109.5 . .
C17 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
C17 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
C15 N1 C9 113.4(3) . .
C15 N1 C8 110.1(3) . .
C9 N1 C8 107.7(3) . .
C15 N1 Mn2 111.74(18) . .
C9 N1 Mn2 109.4(2) . .
C8 N1 Mn2 104.09(19) . .
C11 N2 C13 113.4(3) . .
C11 N2 C12 107.8(3) . .
C13 N2 C12 111.0(3) . .
C11 N2 Mn2 108.5(2) . .
C13 N2 Mn2 111.4(2) . .
C12 N2 Mn2 104.2(2) . .
C5 O1 Mn2 115.15(18) . 2_766
C5 O1 Mn2 116.18(18) . .
Mn2 O1 Mn2 90.02(7) 2_766 .
C5 O1 Mn1 127.26(18) . .
Mn2 O1 Mn1 101.32(8) 2_766 .
Mn2 O1 Mn1 99.73(8) . .
C16 O2 Mn2 119.7(2) . .
C16 O2 Mn1 134.6(2) . 2_766
Mn2 O2 Mn1 105.52(9) . 2_766
C17 O4 Mn1 147.3(3) . .
C14 O6 Mn2 121.6(2) . .
C14 O6 Mn1 130.8(2) . .
Mn2 O6 Mn1 107.00(10) . .
Mn1 O1W H1WA 117(2) . .
Mn1 O1W H1WB 124(2) . .
H1WA O1W H1WB 116.2(18) . .
Mn1 O2W H2WA 98(3) . .
Mn1 O2W H2WB 99(3) . .
H2WA O2W H2WB 114.4(18) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mn1 O4 2.047(2) .
Mn1 O1W 2.123(3) .
Mn1 O6 2.186(2) .
Mn1 O2 2.235(2) 2_766
Mn1 O2W 2.237(3) .
Mn1 O1 2.331(2) .
Mn2 O6 2.135(2) .
Mn2 O2 2.164(2) .
Mn2 O1 2.197(2) 2_766
Mn2 O1 2.211(2) .
Mn2 N1 2.235(3) .
Mn2 N2 2.240(3) .
Mn2 Mn2 3.1171(10) 2_766
C1 C2 1.506(5) .
C1 H1A 0.9600 .
C1 H1B 0.9600 .
C1 H1C 0.9600 .
C2 C3 1.372(6) .
C2 C7 1.379(6) .
C3 C4 1.411(5) .
C3 H3 0.9300 .
C4 C5 1.391(5) .
C4 C12 1.506(5) 2_766
C5 O1 1.382(4) .
C5 C6 1.408(5) .
C6 C7 1.400(5) .
C6 C8 1.499(5) .
C7 H7 0.9300 .
C8 N1 1.499(5) .
C8 H8A 0.9700 .
C8 H8B 0.9700 .
C9 N1 1.486(4) .
C9 C10 1.522(6) .
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C10 C11 1.531(5) .
C10 H10A 0.9700 .
C10 H10B 0.9700 .
C11 N2 1.483(4) .
C11 H11A 0.9700 .
C11 H11B 0.9700 .
C12 N2 1.489(4) .
C12 C4 1.506(5) 2_766
C12 H12A 0.9700 .
C12 H12B 0.9700 .
C13 N2 1.488(4) .
C13 C14 1.516(5) .
C13 H13A 0.9700 .
C13 H13B 0.9700 .
C14 O7 1.218(4) .
C14 O6 1.282(4) .
C15 N1 1.479(4) .
C15 C16 1.513(5) .
C15 H15A 0.9700 .
C15 H15B 0.9700 .
C16 O3 1.230(4) .
C16 O2 1.286(4) .
C17 O5 1.235(5) .
C17 O4 1.242(5) .
C17 C18 1.485(7) .
C18 H18A 0.9600 .
C18 H18B 0.9600 .
C18 H18C 0.9600 .
O1 Mn2 2.1967(19) 2_766
O2 Mn1 2.235(2) 2_766
O1W H1WA 0.849(10) .
O1W H1WB 0.847(10) .
O2W H2WA 0.854(10) .
O2W H2WB 0.848(10) .
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
O1W H1WB O3 0.847(10) 1.921(19) 2.724(3) 158(4) 1_655
O2W H2WB O3 0.848(10) 1.893(13) 2.732(3) 170(4) 2_766
O1W H1WA O5 0.849(10) 1.737(14) 2.575(4) 169(4) 2_755
O2W H2WA O7 0.854(10) 1.887(16) 2.721(4) 165(4) .
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
C7 C2 C3 C4 -2.4(6) . .
C1 C2 C3 C4 -178.8(4) . .
C2 C3 C4 C5 -1.5(5) . .
C2 C3 C4 C12 170.3(3) . 2_766
C3 C4 C5 O1 -175.0(3) . .
C12 C4 C5 O1 13.5(5) 2_766 .
C3 C4 C5 C6 5.6(5) . .
C12 C4 C5 C6 -165.9(3) 2_766 .
O1 C5 C6 C7 174.8(3) . .
C4 C5 C6 C7 -5.8(5) . .
O1 C5 C6 C8 -13.6(4) . .
C4 C5 C6 C8 165.8(3) . .
C3 C2 C7 C6 2.2(6) . .
C1 C2 C7 C6 178.6(4) . .
C5 C6 C7 C2 1.8(5) . .
C8 C6 C7 C2 -169.9(3) . .
C7 C6 C8 N1 -109.9(4) . .
C5 C6 C8 N1 78.5(4) . .
N1 C9 C10 C11 -41.0(5) . .
C9 C10 C11 N2 -39.1(5) . .
N2 C13 C14 O7 165.8(3) . .
N2 C13 C14 O6 -16.8(4) . .
N1 C15 C16 O3 162.9(3) . .
N1 C15 C16 O2 -20.8(5) . .
C16 C15 N1 C9 141.3(3) . .
C16 C15 N1 C8 -98.1(3) . .
C16 C15 N1 Mn2 17.1(4) . .
C10 C9 N1 C15 -57.5(4) . .
C10 C9 N1 C8 -179.5(3) . .
C10 C9 N1 Mn2 67.9(3) . .
C6 C8 N1 C15 59.3(4) . .
C6 C8 N1 C9 -176.6(3) . .
C6 C8 N1 Mn2 -60.6(3) . .
O6 Mn2 N1 C15 172.9(2) . .
O2 Mn2 N1 C15 -8.1(2) . .
O1 Mn2 N1 C15 -9.1(4) 2_766 .
O1 Mn2 N1 C15 -108.1(2) . .
N2 Mn2 N1 C15 97.3(2) . .
Mn2 Mn2 N1 C15 -83.7(2) 2_766 .
O6 Mn2 N1 C9 46.5(2) . .
O2 Mn2 N1 C9 -134.5(2) . .
O1 Mn2 N1 C9 -135.5(2) 2_766 .
O1 Mn2 N1 C9 125.6(2) . .
N2 Mn2 N1 C9 -29.1(2) . .
Mn2 Mn2 N1 C9 149.87(18) 2_766 .
O6 Mn2 N1 C8 -68.4(2) . .
O2 Mn2 N1 C8 110.7(2) . .
O1 Mn2 N1 C8 109.6(3) 2_766 .
O1 Mn2 N1 C8 10.73(19) . .
N2 Mn2 N1 C8 -143.9(2) . .
Mn2 Mn2 N1 C8 35.0(2) 2_766 .
C10 C11 N2 C13 -56.3(4) . .
C10 C11 N2 C12 -179.6(3) . .
C10 C11 N2 Mn2 68.0(3) . .
C14 C13 N2 C11 141.2(3) . .
C14 C13 N2 C12 -97.3(3) . .
C14 C13 N2 Mn2 18.5(3) . .
C4 C12 N2 C11 -174.3(3) 2_766 .
C4 C12 N2 C13 61.0(4) 2_766 .
C4 C12 N2 Mn2 -59.1(3) 2_766 .
O6 Mn2 N2 C11 -137.4(2) . .
O2 Mn2 N2 C11 45.6(2) . .
O1 Mn2 N2 C11 125.2(2) 2_766 .
O1 Mn2 N2 C11 -134.6(2) . .
N1 Mn2 N2 C11 -30.4(2) . .
Mn2 Mn2 N2 C11 150.61(17) 2_766 .
O6 Mn2 N2 C13 -11.9(2) . .
O2 Mn2 N2 C13 171.1(2) . .
O1 Mn2 N2 C13 -109.3(2) 2_766 .
O1 Mn2 N2 C13 -9.1(3) . .
N1 Mn2 N2 C13 95.0(2) . .
Mn2 Mn2 N2 C13 -83.9(2) 2_766 .
O6 Mn2 N2 C12 107.9(2) . .
O2 Mn2 N2 C12 -69.1(2) . .
O1 Mn2 N2 C12 10.5(2) 2_766 .
O1 Mn2 N2 C12 110.8(2) . .
N1 Mn2 N2 C12 -145.1(2) . .
Mn2 Mn2 N2 C12 35.9(2) 2_766 .
C4 C5 O1 Mn2 38.0(3) . 2_766
C6 C5 O1 Mn2 -142.6(2) . 2_766
C4 C5 O1 Mn2 141.4(2) . .
C6 C5 O1 Mn2 -39.3(3) . .
C4 C5 O1 Mn1 -91.0(3) . .
C6 C5 O1 Mn1 88.4(3) . .
O6 Mn2 O1 C5 143.2(2) . .
O2 Mn2 O1 C5 -39.8(2) . .
O1 Mn2 O1 C5 -118.3(2) 2_766 .
N1 Mn2 O1 C5 36.7(2) . .
N2 Mn2 O1 C5 140.3(2) . .
Mn2 Mn2 O1 C5 -118.3(2) 2_766 .
O6 Mn2 O1 Mn2 -98.57(8) . 2_766
O2 Mn2 O1 Mn2 78.46(8) . 2_766
O1 Mn2 O1 Mn2 0.0 2_766 2_766
N1 Mn2 O1 Mn2 154.94(9) . 2_766
N2 Mn2 O1 Mn2 -101.4(2) . 2_766
O6 Mn2 O1 Mn1 2.92(8) . .
O2 Mn2 O1 Mn1 179.95(7) . .
O1 Mn2 O1 Mn1 101.49(8) 2_766 .
N1 Mn2 O1 Mn1 -103.57(9) . .
N2 Mn2 O1 Mn1 0.1(2) . .
Mn2 Mn2 O1 Mn1 101.49(8) 2_766 .
O4 Mn1 O1 C5 -49.9(3) . .
O1W Mn1 O1 C5 47.4(2) . .
O6 Mn1 O1 C5 -136.7(2) . .
O2 Mn1 O1 C5 133.2(3) 2_766 .
O2W Mn1 O1 C5 174.5(2) . .
O4 Mn1 O1 Mn2 175.93(10) . 2_766
O1W Mn1 O1 Mn2 -86.73(9) . 2_766
O6 Mn1 O1 Mn2 89.09(9) . 2_766
O2 Mn1 O1 Mn2 -0.94(9) 2_766 2_766
O2W Mn1 O1 Mn2 40.3(2) . 2_766
O4 Mn1 O1 Mn2 83.95(11) . .
O1W Mn1 O1 Mn2 -178.71(8) . .
O6 Mn1 O1 Mn2 -2.89(8) . .
O2 Mn1 O1 Mn2 -92.92(9) 2_766 .
O2W Mn1 O1 Mn2 -51.7(2) . .
O3 C16 O2 Mn2 -169.7(3) . .
C15 C16 O2 Mn2 14.2(4) . .
O3 C16 O2 Mn1 3.8(6) . 2_766
C15 C16 O2 Mn1 -172.3(2) . 2_766
O6 Mn2 O2 C16 159.1(16) . .
O1 Mn2 O2 C16 176.2(3) 2_766 .
O1 Mn2 O2 C16 88.4(2) . .
N1 Mn2 O2 C16 -3.3(2) . .
N2 Mn2 O2 C16 -91.7(3) . .
Mn2 Mn2 O2 C16 132.0(2) 2_766 .
O6 Mn2 O2 Mn1 -16.1(18) . 2_766
O1 Mn2 O2 Mn1 1.01(9) 2_766 2_766
O1 Mn2 O2 Mn1 -86.81(10) . 2_766
N1 Mn2 O2 Mn1 -178.53(13) . 2_766
N2 Mn2 O2 Mn1 93.13(11) . 2_766
Mn2 Mn2 O2 Mn1 -43.14(9) 2_766 2_766
O5 C17 O4 Mn1 -167.9(4) . .
C18 C17 O4 Mn1 13.5(8) . .
O1W Mn1 O4 C17 48.8(6) . .
O6 Mn1 O4 C17 -139.3(6) . .
O2 Mn1 O4 C17 178.3(9) 2_766 .
O2W Mn1 O4 C17 -52.5(6) . .
O1 Mn1 O4 C17 146.3(5) . .
O7 C14 O6 Mn2 -176.5(3) . .
C13 C14 O6 Mn2 6.3(4) . .
O7 C14 O6 Mn1 13.4(5) . .
C13 C14 O6 Mn1 -163.8(2) . .
O2 Mn2 O6 C14 113.3(17) . .
O1 Mn2 O6 C14 96.4(2) 2_766 .
O1 Mn2 O6 C14 -175.4(2) . .
N1 Mn2 O6 C14 -84.5(2) . .
N2 Mn2 O6 C14 3.3(2) . .
Mn2 Mn2 O6 C14 140.4(2) 2_766 .
O2 Mn2 O6 Mn1 -74.5(17) . .
O1 Mn2 O6 Mn1 -91.45(10) 2_766 .
O1 Mn2 O6 Mn1 -3.21(8) . .
N1 Mn2 O6 Mn1 87.68(12) . .
N2 Mn2 O6 Mn1 175.50(12) . .
Mn2 Mn2 O6 Mn1 -47.43(8) 2_766 .
O4 Mn1 O6 C14 73.1(3) . .
O1W Mn1 O6 C14 -161.0(5) . .
O2 Mn1 O6 C14 -110.7(3) 2_766 .
O2W Mn1 O6 C14 -25.7(3) . .
O1 Mn1 O6 C14 174.3(3) . .
O4 Mn1 O6 Mn2 -98.07(12) . .
O1W Mn1 O6 Mn2 27.8(6) . .
O2 Mn1 O6 Mn2 78.09(10) 2_766 .
O2W Mn1 O6 Mn2 163.10(11) . .
O1 Mn1 O6 Mn2 3.09(8) . .
