#------------------------------------------------------------------------------
#$Date: 2016-02-20 18:35:30 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176787 $
#$URL: svn://www.crystallography.net/cod/cif/2/21/05/2210580.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2210580
loop_
_publ_author_name
'Chen, Zi-Lu'
'Zhang, Yu-Zhen'
'Liang, Fu-Pei'
'Wu, Qiang'
_publ_section_title
;
 A two-dimensional coordination network assembled from manganese(II)
 and 1,4-phenylenediacetate
;
_journal_coeditor_code           EZ2028
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2409
_journal_page_last               m2411
_journal_paper_doi               10.1107/S1600536806034556
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          '[Mn3 (C10 H8 O4)3 (C10 H8 N2)2]'
_chemical_formula_moiety         'C50 H40 Mn3 N4 O12'
_chemical_formula_sum            'C50 H40 Mn3 N4 O12'
_chemical_formula_weight         1053.68
_chemical_name_systematic
;
poly[bis(2,2'-bipyridine)tris(μ-1,4-phenylenediacetato-
κ⁴O,O':O'',O''')trimanganese(II)]
;
_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                111.958(3)
_cell_angle_beta                 100.522(4)
_cell_angle_gamma                94.042(4)
_cell_formula_units_Z            1
_cell_length_a                   8.604(3)
_cell_length_b                   11.207(3)
_cell_length_c                   13.444(4)
_cell_measurement_reflns_used    2138
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      25.8
_cell_measurement_theta_min      2.4
_cell_volume                     1168.3(6)
_computing_cell_refinement       'SAINT (Bruker, 1998)'
_computing_data_collection       'SMART (Bruker, 1998)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL (Bruker, 1998)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_diffrn_measurement_method       'φ and 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  0.021
_diffrn_reflns_av_sigmaI/netI    0.049
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            6109
_diffrn_reflns_theta_full        25.0
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.68
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.867
_exptl_absorpt_correction_T_max  0.896
_exptl_absorpt_correction_T_min  0.793
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 1998)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.498
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             539
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.13
_refine_diff_density_max         1.27
_refine_diff_density_min         -0.25
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.999
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     313
_refine_ls_number_reflns         4060
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.999
_refine_ls_R_factor_all          0.069
_refine_ls_R_factor_gt           0.045
_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)+(0.0765P)²+0.5301P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.115
_refine_ls_wR_factor_ref         0.136
_reflns_number_gt                2912
_reflns_number_total             4060
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            ez2028.cif
_cod_data_source_block           I
_cod_original_cell_volume        1168.4(6)
_cod_database_code               2210580
_cod_database_fobs_code          2210580
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
Mn Mn1 0.5000 0.5000 0.5000 0.0289(2) Uani d S 1
Mn Mn2 0.22039(7) 0.37896(5) 0.23004(4) 0.03285(19) Uani d . 1
N N1 0.1455(4) 0.2962(3) 0.0446(2) 0.0393(8) Uani d . 1
N N2 -0.0258(4) 0.4236(3) 0.1851(3) 0.0384(8) Uani d . 1
O O1 0.2889(3) 0.3714(3) 0.4887(2) 0.0407(6) Uani d . 1
O O2 0.1299(4) 0.2866(3) 0.3215(2) 0.0523(8) Uani d . 1
O O3 0.3546(3) 0.5509(2) 0.37072(19) 0.0364(6) Uani d . 1
O O4 0.3247(4) 0.5780(3) 0.2165(2) 0.0514(8) Uani d . 1
O O5 0.5746(3) 0.3382(3) 0.3799(2) 0.0447(7) Uani d . 1
O O6 0.4176(4) 0.2821(3) 0.2147(2) 0.0555(9) Uani d . 1
C C1 0.1789(5) 0.2906(3) 0.4162(3) 0.0330(8) Uani d . 1
C C2 0.0977(5) 0.1846(4) 0.4427(3) 0.0414(10) Uani d . 1
H H2A 0.0898 0.2205 0.5191 0.050 Uiso calc R 1
H H2B -0.0099 0.1547 0.3971 0.050 Uiso calc R 1
C C3 0.1889(4) 0.0704(3) 0.4233(3) 0.0344(9) Uani d . 1
C C4 0.2021(5) 0.0042(4) 0.4930(3) 0.0437(10) Uani d . 1
H H4 0.1530 0.0300 0.5523 0.052 Uiso calc R 1
C C5 0.2640(5) 0.0266(4) 0.3362(3) 0.0435(10) Uani d . 1
H H5 0.2560 0.0672 0.2869 0.052 Uiso calc R 1
C C6 0.3771(4) 0.6209(3) 0.3179(3) 0.0325(8) Uani d . 1
C C7 0.4686(5) 0.7559(4) 0.3793(4) 0.0562(12) Uani d . 1
H H7A 0.5234 0.7643 0.4520 0.067 Uiso calc R 1
H H7B 0.5493 0.7685 0.3409 0.067 Uiso calc R 1
C C8 0.3652(5) 0.8606(4) 0.3915(3) 0.0391(10) Uani d . 1
C C9 0.3496(5) 0.9252(4) 0.3206(4) 0.0448(10) Uani d . 1
H H9 0.3984 0.8989 0.2613 0.054 Uiso calc R 1
C C10 0.2870(5) 0.9006(4) 0.4756(4) 0.0465(11) Uani d . 1
H H10 0.2911 0.8568 0.5225 0.056 Uiso calc R 1
C C11 0.5289(5) 0.2680(4) 0.2803(3) 0.0348(9) Uani d . 1
C C12 0.6197(5) 0.1540(4) 0.2351(3) 0.0441(10) Uani d . 1
H H12A 0.7317 0.1879 0.2482 0.053 Uiso calc R 1
H H12B 0.6125 0.0986 0.2754 0.053 Uiso calc R 1
C C13 0.5585(5) 0.0723(3) 0.1136(3) 0.0353(9) Uani d . 1
C C14 0.4153(5) -0.0095(4) 0.0732(3) 0.0433(10) Uani d . 1
H H14 0.3558 -0.0173 0.1223 0.052 Uiso calc R 1
C C15 0.6434(5) 0.0809(4) 0.0386(3) 0.0421(10) Uani d . 1
H H15 0.7413 0.1352 0.0632 0.050 Uiso calc R 1
C C16 0.2365(6) 0.2327(4) -0.0221(3) 0.0521(12) Uani d . 1
H H16 0.3312 0.2116 0.0083 0.063 Uiso calc R 1
C C17 0.1950(6) 0.1975(5) -0.1342(3) 0.0589(13) Uani d . 1
H H17 0.2609 0.1532 -0.1786 0.071 Uiso calc R 1
C C18 0.0566(6) 0.2280(5) -0.1796(4) 0.0580(13) Uani d . 1
H H18 0.0270 0.2050 -0.2552 0.070 Uiso calc R 1
C C19 -0.0392(5) 0.2936(4) -0.1120(3) 0.0474(11) Uani d . 1
H H19 -0.1337 0.3160 -0.1413 0.057 Uiso calc R 1
C C20 0.0071(5) 0.3253(4) -0.0005(3) 0.0376(9) Uani d . 1
C C21 -0.0917(5) 0.3923(4) 0.0786(3) 0.0360(9) Uani d . 1
C C22 -0.2446(5) 0.4166(5) 0.0448(4) 0.0543(12) Uani d . 1
H H22 -0.2883 0.3954 -0.0294 0.065 Uiso calc R 1
C C23 -0.3299(5) 0.4723(5) 0.1228(4) 0.0587(13) Uani d . 1
H H23 -0.4329 0.4881 0.1016 0.070 Uiso calc R 1
C C24 -0.2632(6) 0.5049(5) 0.2320(4) 0.0622(14) Uani d . 1
H H24 -0.3190 0.5434 0.2859 0.075 Uiso calc R 1
C C25 -0.1101(6) 0.4785(5) 0.2596(4) 0.0548(12) Uani d . 1
H H25 -0.0641 0.5001 0.3335 0.066 Uiso calc R 1
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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
O5 Mn1 O5 . 2_666 180.00(12) y
O5 Mn1 O1 . 2_666 90.43(11) y
O5 Mn1 O1 2_666 2_666 89.57(11) ?
O5 Mn1 O1 . . 89.57(11) y
O5 Mn1 O1 2_666 . 90.43(11) ?
O1 Mn1 O1 2_666 . 180.0000(10) y
O5 Mn1 O3 . . 92.58(10) y
O5 Mn1 O3 2_666 . 87.42(9) y
O1 Mn1 O3 2_666 . 91.70(10) y
O1 Mn1 O3 . . 88.30(10) y
O5 Mn1 O3 . 2_666 87.42(9) ?
O5 Mn1 O3 2_666 2_666 92.58(9) ?
O1 Mn1 O3 2_666 2_666 88.30(10) ?
O1 Mn1 O3 . 2_666 91.70(10) ?
O3 Mn1 O3 . 2_666 180.0000(10) y
O6 Mn2 O2 . . 94.96(13) y
O6 Mn2 O3 . . 93.67(11) y
O2 Mn2 O3 . . 96.55(11) y
O6 Mn2 N2 . . 158.67(11) y
O2 Mn2 N2 . . 87.72(12) y
O3 Mn2 N2 . . 107.08(11) y
O6 Mn2 N1 . . 88.13(11) y
O2 Mn2 N1 . . 121.26(12) y
O3 Mn2 N1 . . 141.87(11) y
N2 Mn2 N1 . . 72.56(12) y
O6 Mn2 O4 . . 99.96(12) y
O2 Mn2 O4 . . 149.27(11) y
O3 Mn2 O4 . . 56.02(9) y
N2 Mn2 O4 . . 87.96(11) y
N1 Mn2 O4 . . 86.14(11) y
C16 N1 C20 . . 118.4(3) ?
C16 N1 Mn2 . . 124.0(3) ?
C20 N1 Mn2 . . 117.1(2) ?
C25 N2 C21 . . 118.7(3) ?
C25 N2 Mn2 . . 122.8(3) ?
C21 N2 Mn2 . . 118.5(2) ?
C1 O1 Mn1 . . 138.5(2) ?
C1 O2 Mn2 . . 133.0(3) ?
C6 O3 Mn2 . . 97.1(2) ?
C6 O3 Mn1 . . 137.0(2) ?
Mn2 O3 Mn1 . . 112.48(10) ?
C6 O4 Mn2 . . 86.5(2) ?
C11 O5 Mn1 . . 137.6(2) ?
C11 O6 Mn2 . . 134.8(3) ?
O1 C1 O2 . . 125.7(4) ?
O1 C1 C2 . . 118.1(3) ?
O2 C1 C2 . . 116.2(3) ?
C3 C2 C1 . . 111.7(3) ?
C3 C2 H2A . . 109.3 ?
C1 C2 H2A . . 109.3 ?
C3 C2 H2B . . 109.3 ?
C1 C2 H2B . . 109.3 ?
H2A C2 H2B . . 107.9 ?
C5 C3 C4 . . 116.6(4) ?
C5 C3 C2 . . 122.2(3) ?
C4 C3 C2 . . 121.3(4) ?
C10 C4 C3 1_545 . 121.1(4) ?
C10 C4 H4 1_545 . 119.5 ?
C3 C4 H4 . . 119.5 ?
C9 C5 C3 1_545 . 121.8(4) ?
C9 C5 H5 1_545 . 119.1 ?
C3 C5 H5 . . 119.1 ?
O4 C6 O3 . . 120.4(3) ?
O4 C6 C7 . . 120.6(4) ?
O3 C6 C7 . . 119.0(4) ?
C8 C7 C6 . . 113.4(3) ?
C8 C7 H7A . . 108.9 ?
C6 C7 H7A . . 108.9 ?
C8 C7 H7B . . 108.9 ?
C6 C7 H7B . . 108.9 ?
H7A C7 H7B . . 107.7 ?
C10 C8 C9 . . 116.8(4) ?
C10 C8 C7 . . 121.5(4) ?
C9 C8 C7 . . 121.6(4) ?
C5 C9 C8 1_565 . 121.6(4) ?
C5 C9 H9 1_565 . 119.2 ?
C8 C9 H9 . . 119.2 ?
C8 C10 C4 . 1_565 122.1(4) ?
C8 C10 H10 . . 119.0 ?
C4 C10 H10 1_565 . 119.0 ?
O6 C11 O5 . . 126.1(3) ?
O6 C11 C12 . . 117.4(3) ?
O5 C11 C12 . . 116.5(3) ?
C13 C12 C11 . . 114.0(3) ?
C13 C12 H12A . . 108.8 ?
C11 C12 H12A . . 108.8 ?
C13 C12 H12B . . 108.8 ?
C11 C12 H12B . . 108.8 ?
H12A C12 H12B . . 107.7 ?
C14 C13 C15 . . 117.4(3) ?
C14 C13 C12 . . 121.9(4) ?
C15 C13 C12 . . 120.7(4) ?
C13 C14 C15 . 2_655 121.9(4) ?
C13 C14 H14 . . 119.1 ?
C15 C14 H14 2_655 . 119.1 ?
C13 C15 C14 . 2_655 120.7(4) ?
C13 C15 H15 . . 119.6 ?
C14 C15 H15 2_655 . 119.6 ?
N1 C16 C17 . . 122.2(4) ?
N1 C16 H16 . . 118.9 ?
C17 C16 H16 . . 118.9 ?
C18 C17 C16 . . 119.4(4) ?
C18 C17 H17 . . 120.3 ?
C16 C17 H17 . . 120.3 ?
C17 C18 C19 . . 119.2(4) ?
C17 C18 H18 . . 120.4 ?
C19 C18 H18 . . 120.4 ?
C20 C19 C18 . . 119.0(4) ?
C20 C19 H19 . . 120.5 ?
C18 C19 H19 . . 120.5 ?
N1 C20 C19 . . 121.7(4) ?
N1 C20 C21 . . 115.5(3) ?
C19 C20 C21 . . 122.8(4) ?
N2 C21 C22 . . 121.5(4) ?
N2 C21 C20 . . 115.6(3) ?
C22 C21 C20 . . 122.8(4) ?
C23 C22 C21 . . 118.8(4) ?
C23 C22 H22 . . 120.6 ?
C21 C22 H22 . . 120.6 ?
C24 C23 C22 . . 120.0(4) ?
C24 C23 H23 . . 120.0 ?
C22 C23 H23 . . 120.0 ?
C23 C24 C25 . . 118.0(4) ?
C23 C24 H24 . . 121.0 ?
C25 C24 H24 . . 121.0 ?
N2 C25 C24 . . 122.9(4) ?
N2 C25 H25 . . 118.5 ?
C24 C25 H25 . . 118.5 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Mn1 O5 . 2.158(2) y
Mn1 O5 2_666 2.158(2) ?
Mn1 O1 2_666 2.183(3) ?
Mn1 O1 . 2.183(3) y
Mn1 O3 . 2.227(2) y
Mn1 O3 2_666 2.227(2) ?
Mn2 O6 . 2.078(3) y
Mn2 O2 . 2.092(3) y
Mn2 O3 . 2.188(2) y
Mn2 N2 . 2.238(3) y
Mn2 N1 . 2.256(3) y
Mn2 O4 . 2.428(3) y
N1 C16 . 1.335(5) ?
N1 C20 . 1.353(5) ?
N2 C25 . 1.333(5) ?
N2 C21 . 1.339(5) ?
O1 C1 . 1.244(4) ?
O2 C1 . 1.249(4) ?
O3 C6 . 1.266(4) ?
O4 C6 . 1.244(4) ?
O5 C11 . 1.242(4) ?
O6 C11 . 1.240(4) ?
C1 C2 . 1.521(5) ?
C2 C3 . 1.513(5) ?
C2 H2A . 0.9700 ?
C2 H2B . 0.9700 ?
C3 C5 . 1.386(5) ?
C3 C4 . 1.391(5) ?
C4 C10 1_545 1.384(6) ?
C4 H4 . 0.9300 ?
C5 C9 1_545 1.369(5) ?
C5 H5 . 0.9300 ?
C6 C7 . 1.501(6) ?
C7 C8 . 1.501(5) ?
C7 H7A . 0.9700 ?
C7 H7B . 0.9700 ?
C8 C10 . 1.368(6) ?
C8 C9 . 1.391(5) ?
C9 C5 1_565 1.369(5) ?
C9 H9 . 0.9300 ?
C10 C4 1_565 1.384(6) ?
C10 H10 . 0.9300 ?
C11 C12 . 1.532(5) ?
C12 C13 . 1.511(5) ?
C12 H12A . 0.9700 ?
C12 H12B . 0.9700 ?
C13 C14 . 1.370(6) ?
C13 C15 . 1.375(5) ?
C14 C15 2_655 1.386(5) ?
C14 H14 . 0.9300 ?
C15 C14 2_655 1.386(5) ?
C15 H15 . 0.9300 ?
C16 C17 . 1.377(6) ?
C16 H16 . 0.9300 ?
C17 C18 . 1.363(6) ?
C17 H17 . 0.9300 ?
C18 C19 . 1.380(6) ?
C18 H18 . 0.9300 ?
C19 C20 . 1.377(5) ?
C19 H19 . 0.9300 ?
C20 C21 . 1.496(5) ?
C21 C22 . 1.392(6) ?
C22 C23 . 1.373(6) ?
C22 H22 . 0.9300 ?
C23 C24 . 1.372(7) ?
C23 H23 . 0.9300 ?
C24 C25 . 1.385(6) ?
C24 H24 . 0.9300 ?
C25 H25 . 0.9300 ?
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_site_symmetry_1
_geom_torsion_site_symmetry_4
_geom_torsion
O6 Mn2 N1 C16 . . -9.0(3)
O2 Mn2 N1 C16 . . -103.7(3)
O3 Mn2 N1 C16 . . 84.5(4)
N2 Mn2 N1 C16 . . -179.9(4)
O4 Mn2 N1 C16 . . 91.1(3)
O6 Mn2 N1 C20 . . 178.2(3)
O2 Mn2 N1 C20 . . 83.5(3)
O3 Mn2 N1 C20 . . -88.2(3)
N2 Mn2 N1 C20 . . 7.4(3)
O4 Mn2 N1 C20 . . -81.7(3)
O6 Mn2 N2 C25 . . 148.3(4)
O2 Mn2 N2 C25 . . 50.5(3)
O3 Mn2 N2 C25 . . -45.7(3)
N1 Mn2 N2 C25 . . 174.3(4)
O4 Mn2 N2 C25 . . -99.1(3)
O6 Mn2 N2 C21 . . -30.9(5)
O2 Mn2 N2 C21 . . -128.7(3)
O3 Mn2 N2 C21 . . 135.2(3)
N1 Mn2 N2 C21 . . -4.8(3)
O4 Mn2 N2 C21 . . 81.8(3)
O5 Mn1 O1 C1 . . -50.1(4)
O5 Mn1 O1 C1 2_666 . 129.9(4)
O3 Mn1 O1 C1 . . 42.5(4)
O3 Mn1 O1 C1 2_666 . -137.5(4)
O6 Mn2 O2 C1 . . 67.4(4)
O3 Mn2 O2 C1 . . -26.8(4)
N2 Mn2 O2 C1 . . -133.8(4)
N1 Mn2 O2 C1 . . 158.2(3)
O4 Mn2 O2 C1 . . -51.6(5)
O6 Mn2 O3 C6 . . 99.6(2)
O2 Mn2 O3 C6 . . -164.9(2)
N2 Mn2 O3 C6 . . -75.3(2)
N1 Mn2 O3 C6 . . 8.0(3)
O4 Mn2 O3 C6 . . 0.1(2)
O6 Mn2 O3 Mn1 . . -48.45(14)
O2 Mn2 O3 Mn1 . . 46.98(14)
N2 Mn2 O3 Mn1 . . 136.60(12)
N1 Mn2 O3 Mn1 . . -140.08(15)
O4 Mn2 O3 Mn1 . . -147.99(17)
O5 Mn1 O3 C6 . . -88.2(3)
O5 Mn1 O3 C6 2_666 . 91.8(3)
O1 Mn1 O3 C6 2_666 . 2.3(3)
O1 Mn1 O3 C6 . . -177.7(3)
O5 Mn1 O3 Mn2 . . 41.55(13)
O5 Mn1 O3 Mn2 2_666 . -138.45(13)
O1 Mn1 O3 Mn2 2_666 . 132.06(12)
O1 Mn1 O3 Mn2 . . -47.94(12)
O6 Mn2 O4 C6 . . -87.8(2)
O2 Mn2 O4 C6 . . 30.1(3)
O3 Mn2 O4 C6 . . -0.1(2)
N2 Mn2 O4 C6 . . 112.1(2)
N1 Mn2 O4 C6 . . -175.2(2)
O1 Mn1 O5 C11 2_666 . -111.7(4)
O1 Mn1 O5 C11 . . 68.3(4)
O3 Mn1 O5 C11 . . -19.9(4)
O3 Mn1 O5 C11 2_666 . 160.1(4)
O2 Mn2 O6 C11 . . -55.2(4)
O3 Mn2 O6 C11 . . 41.7(4)
N2 Mn2 O6 C11 . . -151.7(4)
N1 Mn2 O6 C11 . . -176.4(4)
O4 Mn2 O6 C11 . . 97.8(4)
Mn1 O1 C1 O2 . . -23.9(6)
Mn1 O1 C1 C2 . . 154.7(3)
Mn2 O2 C1 O1 . . 12.3(6)
Mn2 O2 C1 C2 . . -166.2(3)
O1 C1 C2 C3 . . -84.3(4)
O2 C1 C2 C3 . . 94.3(4)
C1 C2 C3 C5 . . -37.4(5)
C1 C2 C3 C4 . . 142.3(4)
C5 C3 C4 C10 . 1_545 0.4(6)
C2 C3 C4 C10 . 1_545 -179.3(4)
C4 C3 C5 C9 . 1_545 -1.3(6)
C2 C3 C5 C9 . 1_545 178.4(4)
Mn2 O4 C6 O3 . . 0.1(3)
Mn2 O4 C6 C7 . . 179.8(3)
Mn2 O3 C6 O4 . . -0.2(4)
Mn1 O3 C6 O4 . . 134.1(3)
Mn2 O3 C6 C7 . . -179.8(3)
Mn1 O3 C6 C7 . . -45.6(5)
O4 C6 C7 C8 . . 73.5(5)
O3 C6 C7 C8 . . -106.8(4)
C6 C7 C8 C10 . . 85.1(5)
C6 C7 C8 C9 . . -97.6(5)
C10 C8 C9 C5 . 1_565 1.9(6)
C7 C8 C9 C5 . 1_565 -175.5(4)
C9 C8 C10 C4 . 1_565 -2.9(6)
C7 C8 C10 C4 . 1_565 174.6(4)
Mn2 O6 C11 O5 . . -19.8(7)
Mn2 O6 C11 C12 . . 160.5(3)
Mn1 O5 C11 O6 . . 5.8(7)
Mn1 O5 C11 C12 . . -174.5(3)
O6 C11 C12 C13 . . -0.2(6)
O5 C11 C12 C13 . . 180.0(4)
C11 C12 C13 C14 . . -72.1(5)
C11 C12 C13 C15 . . 105.8(4)
C15 C13 C14 C15 . 2_655 -0.3(6)
C12 C13 C14 C15 . 2_655 177.7(3)
C14 C13 C15 C14 . 2_655 0.3(6)
C12 C13 C15 C14 . 2_655 -177.7(3)
C20 N1 C16 C17 . . 0.7(7)
Mn2 N1 C16 C17 . . -172.0(4)
N1 C16 C17 C18 . . 0.0(7)
C16 C17 C18 C19 . . -0.1(7)
C17 C18 C19 C20 . . -0.6(7)
C16 N1 C20 C19 . . -1.4(6)
Mn2 N1 C20 C19 . . 171.8(3)
C16 N1 C20 C21 . . 177.9(3)
Mn2 N1 C20 C21 . . -8.9(4)
C18 C19 C20 N1 . . 1.4(6)
C18 C19 C20 C21 . . -177.9(4)
C25 N2 C21 C22 . . 0.5(6)
Mn2 N2 C21 C22 . . 179.6(3)
C25 N2 C21 C20 . . -177.2(4)
Mn2 N2 C21 C20 . . 2.0(4)
N1 C20 C21 N2 . . 4.6(5)
C19 C20 C21 N2 . . -176.1(4)
N1 C20 C21 C22 . . -173.0(4)
C19 C20 C21 C22 . . 6.3(6)
N2 C21 C22 C23 . . -0.9(6)
C20 C21 C22 C23 . . 176.6(4)
C21 C22 C23 C24 . . 1.0(7)
C22 C23 C24 C25 . . -0.6(7)
C21 N2 C25 C24 . . -0.1(7)
Mn2 N2 C25 C24 . . -179.2(4)
C23 C24 C25 N2 . . 0.1(7)
