#------------------------------------------------------------------------------
#$Date: 2016-03-23 16:22:53 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179374 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/71/4327168.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_4327168
loop_
_publ_author_name
'Arpita Saha'
'Khalil A. Abboud'
'George Christou'
_publ_section_title
;
 New Mixed-Valent Mn Clusters from the Use of
 N,N,N',N'-Tetrakis(2-hydroxyethyl)ethylenediamine (edteH4): Mn3, Mn4,
 Mn6, and Mn10
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              12774
_journal_page_last               12784
_journal_paper_doi               10.1021/ic201916d
_journal_volume                  50
_journal_year                    2011
_chemical_formula_sum            'C25 H47 Mn3 N5 O11'
_chemical_formula_weight         758.50
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2010-05-07 # Formatted by publCIF
;
_cell_angle_alpha                90.00
_cell_angle_beta                 104.264(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   23.5084(17)
_cell_length_b                   14.4661(11)
_cell_length_c                   20.2570(15)
_cell_measurement_reflns_used    61
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.0
_cell_measurement_theta_min      2.0
_cell_volume                     6676.5(9)
_computing_cell_refinement       'Bruker APEX2'
_computing_data_collection       'Bruker APEX2 (Bruker, 2008)'
_computing_data_reduction        'Bruker SAINT (Bruker, 2008)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL (Bruker, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'ω 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  0.2884
_diffrn_reflns_av_sigmaI/netI    0.1407
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            53924
_diffrn_reflns_theta_full        66.54
_diffrn_reflns_theta_max         66.54
_diffrn_reflns_theta_min         3.62
_exptl_absorpt_coefficient_mu    9.620
_exptl_absorpt_correction_T_max  0.7054
_exptl_absorpt_correction_T_min  0.3610
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details
'based on measured indexed crystal faces, Bruker SHELXTL  v6.12 (Bruker 2007)'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.509
_exptl_crystal_description       plates
_exptl_crystal_F_000             3160
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.04
_refine_diff_density_max         0.396
_refine_diff_density_min         -0.547
_refine_diff_density_rms         0.083
_refine_ls_extinction_coef       0.000090(14)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.822
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     407
_refine_ls_number_reflns         5862
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.822
_refine_ls_R_factor_all          0.1152
_refine_ls_R_factor_gt           0.0530
_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)+(0.0501P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1124
_refine_ls_wR_factor_ref         0.1324
_reflns_number_gt                2883
_reflns_number_total             5862
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            ic201916d_si_002_3.cif
_cod_data_source_block           saha71
_cod_database_code               4327168
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -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
Mn1 Mn 0.35566(4) 0.13660(6) 1.01643(5) 0.0435(3) Uani 1 1 d .
Mn2 Mn 0.29421(4) 0.01926(7) 0.89714(5) 0.0500(3) Uani 1 1 d .
Mn3 Mn 0.21390(4) 0.17426(6) 0.94900(5) 0.0433(3) Uani 1 1 d .
O1 O 0.28570(14) 0.1299(2) 0.94136(17) 0.0412(9) Uani 1 1 d .
O2 O 0.22208(17) 0.0436(3) 0.8156(2) 0.0614(12) Uani 1 1 d .
O3 O 0.17197(16) 0.1606(3) 0.8454(2) 0.0515(10) Uani 1 1 d .
O4 O 0.23981(17) -0.0572(3) 0.9375(2) 0.0546(10) Uani 1 1 d .
O5 O 0.17989(17) 0.0484(3) 0.96466(19) 0.0521(10) Uani 1 1 d .
O6 O 0.40060(16) 0.1667(3) 0.9363(2) 0.0534(10) Uani 1 1 d .
O7 O 0.34899(17) 0.0807(3) 0.85039(19) 0.0514(10) Uani 1 1 d .
O8 O 0.36141(16) 0.0090(2) 0.99669(18) 0.0481(10) Uani 1 1 d .
O9 O 0.25938(16) 0.1949(2) 1.05158(18) 0.0465(9) Uani 1 1 d .
O10 O 0.35671(15) 0.2687(2) 1.03642(18) 0.0430(9) Uani 1 1 d .
O11 O 0.56785(19) 0.0926(3) 1.1589(2) 0.0709(13) Uani 1 1 d .
H11 H 0.6188 0.0771 1.1632 0.106 Uiso 1 1 d R
N1 N 0.3143(2) -0.0954(4) 0.8569(3) 0.0574(14) Uani 1 1 d .
N2 N 0.2758(3) -0.1455(4) 0.8271(3) 0.0810(18) Uani 1 1 d .
N3 N 0.2394(3) -0.1949(5) 0.7950(4) 0.123(3) Uani 1 1 d .
N4 N 0.34556(19) 0.0692(3) 1.1195(2) 0.0478(12) Uani 1 1 d .
N5 N 0.4437(2) 0.1524(3) 1.0800(2) 0.0473(12) Uani 1 1 d .
C1 C 0.1812(3) 0.1003(5) 0.8036(3) 0.0556(16) Uani 1 1 d .
C2 C 0.1359(3) 0.0931(5) 0.7345(3) 0.0602(17) Uani 1 1 d .
C3 C 0.1605(3) 0.0275(5) 0.6886(3) 0.080(2) Uani 1 1 d .
H3A H 0.1913 0.0592 0.6724 0.120 Uiso 1 1 calc R
H3B H 0.1288 0.0090 0.6496 0.120 Uiso 1 1 calc R
H3C H 0.1769 -0.0275 0.7147 0.120 Uiso 1 1 calc R
C4 C 0.1227(3) 0.1856(5) 0.7019(4) 0.088(3) Uani 1 1 d .
H4A H 0.1587 0.2127 0.6942 0.132 Uiso 1 1 calc R
H4B H 0.1069 0.2262 0.7318 0.132 Uiso 1 1 calc R
H4C H 0.0937 0.1789 0.6582 0.132 Uiso 1 1 calc R
C5 C 0.0806(3) 0.0508(7) 0.7481(4) 0.119(4) Uani 1 1 d .
H5A H 0.0531 0.0353 0.7047 0.179 Uiso 1 1 calc R
H5B H 0.0622 0.0952 0.7729 0.179 Uiso 1 1 calc R
H5C H 0.0908 -0.0055 0.7754 0.179 Uiso 1 1 calc R
C6 C 0.1936(3) -0.0335(5) 0.9550(3) 0.0535(16) Uani 1 1 d .
C7 C 0.1529(3) -0.1131(5) 0.9658(3) 0.0645(18) Uani 1 1 d .
C8 C 0.1415(3) -0.1752(5) 0.9046(3) 0.086(2) Uani 1 1 d .
H8A H 0.1177 -0.1422 0.8651 0.129 Uiso 1 1 calc R
H8B H 0.1203 -0.2304 0.9134 0.129 Uiso 1 1 calc R
H8C H 0.1789 -0.1936 0.8953 0.129 Uiso 1 1 calc R
C9 C 0.0963(3) -0.0754(5) 0.9795(4) 0.087(2) Uani 1 1 d .
H9A H 0.0749 -0.0398 0.9400 0.130 Uiso 1 1 calc R
H9B H 0.1057 -0.0353 1.0197 0.130 Uiso 1 1 calc R
H9C H 0.0718 -0.1269 0.9876 0.130 Uiso 1 1 calc R
C10 C 0.1863(3) -0.1695(5) 1.0294(4) 0.079(2) Uani 1 1 d .
H10A H 0.2218 -0.1967 1.0204 0.118 Uiso 1 1 calc R
H10B H 0.1608 -0.2188 1.0388 0.118 Uiso 1 1 calc R
H10C H 0.1972 -0.1283 1.0690 0.118 Uiso 1 1 calc R
C11 C 0.3864(3) 0.1434(4) 0.8756(4) 0.0544(16) Uani 1 1 d .
C12 C 0.4171(3) 0.1921(4) 0.8261(3) 0.0575(17) Uani 1 1 d .
C13 C 0.3887(3) 0.1683(6) 0.7529(3) 0.084(2) Uani 1 1 d .
H13A H 0.4094 0.2001 0.7230 0.126 Uiso 1 1 calc R
H13B H 0.3475 0.1881 0.7418 0.126 Uiso 1 1 calc R
H13C H 0.3906 0.1014 0.7464 0.126 Uiso 1 1 calc R
C14 C 0.4140(4) 0.2949(5) 0.8355(4) 0.112(3) Uani 1 1 d .
H14A H 0.4362 0.3263 0.8070 0.168 Uiso 1 1 calc R
H14B H 0.4309 0.3106 0.8835 0.168 Uiso 1 1 calc R
H14C H 0.3730 0.3150 0.8223 0.168 Uiso 1 1 calc R
C15 C 0.4801(3) 0.1604(6) 0.8440(4) 0.102(3) Uani 1 1 d .
H15A H 0.5018 0.1936 0.8158 0.153 Uiso 1 1 calc R
H15B H 0.4816 0.0939 0.8355 0.153 Uiso 1 1 calc R
H15C H 0.4978 0.1732 0.8922 0.153 Uiso 1 1 calc R
C16 C 0.3551(3) -0.0604(4) 1.0454(3) 0.0566(16) Uani 1 1 d .
H16A H 0.3944 -0.0815 1.0710 0.068 Uiso 1 1 calc R
H16B H 0.3338 -0.1143 1.0211 0.068 Uiso 1 1 calc R
C17 C 0.3218(2) -0.0223(4) 1.0947(3) 0.0535(15) Uani 1 1 d .
H17A H 0.2796 -0.0166 1.0716 0.064 Uiso 1 1 calc R
H17B H 0.3256 -0.0651 1.1337 0.064 Uiso 1 1 calc R
C18 C 0.2486(2) 0.1487(4) 1.1096(3) 0.0517(15) Uani 1 1 d .
H18A H 0.2230 0.0945 1.0945 0.062 Uiso 1 1 calc R
H18B H 0.2281 0.1911 1.1344 0.062 Uiso 1 1 calc R
C19 C 0.3064(2) 0.1171(4) 1.1568(3) 0.0524(15) Uani 1 1 d .
H19A H 0.3272 0.1716 1.1809 0.063 Uiso 1 1 calc R
H19B H 0.2980 0.0746 1.1915 0.063 Uiso 1 1 calc R
C20 C 0.4064(2) 0.0655(4) 1.1643(3) 0.0526(15) Uani 1 1 d .
H20A H 0.4262 0.0086 1.1546 0.063 Uiso 1 1 calc R
H20B H 0.4047 0.0638 1.2126 0.063 Uiso 1 1 calc R
C21 C 0.4411(2) 0.1497(4) 1.1521(3) 0.0533(16) Uani 1 1 d .
H21A H 0.4221 0.2066 1.1634 0.064 Uiso 1 1 calc R
H21B H 0.4813 0.1467 1.1819 0.064 Uiso 1 1 calc R
C22 C 0.4620(2) 0.2464(4) 1.0623(3) 0.0508(15) Uani 1 1 d .
H22A H 0.4721 0.2442 1.0177 0.061 Uiso 1 1 calc R
H22B H 0.4973 0.2666 1.0971 0.061 Uiso 1 1 calc R
C23 C 0.4122(2) 0.3147(4) 1.0593(3) 0.0534(16) Uani 1 1 d .
H23A H 0.4153 0.3415 1.1050 0.064 Uiso 1 1 calc R
H23B H 0.4150 0.3657 1.0277 0.064 Uiso 1 1 calc R
C24 C 0.4845(2) 0.0813(4) 1.0618(3) 0.0595(18) Uani 1 1 d .
H24A H 0.4697 0.0278 1.0361 0.071 Uiso 1 1 calc R
C25 C 0.5498(3) 0.0986(4) 1.0860(3) 0.0582(17) Uani 1 1 d .
H25A H 0.5714 0.0523 1.0656 0.070 Uiso 1 1 calc R
H25B H 0.5592 0.1607 1.0711 0.070 Uiso 1 1 calc R
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mn Mn -0.5299 2.8052 '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
O8 Mn1 O1 82.96(15) . .
O8 Mn1 O10 175.15(15) . .
O1 Mn1 O10 100.12(15) . .
O8 Mn1 N5 96.95(16) . .
O1 Mn1 N5 165.90(17) . .
O10 Mn1 N5 79.14(16) . .
O8 Mn1 O6 88.00(16) . .
O1 Mn1 O6 84.25(15) . .
O10 Mn1 O6 88.58(15) . .
N5 Mn1 O6 81.66(16) . .
O8 Mn1 N4 79.23(16) . .
O1 Mn1 N4 114.76(16) . .
O10 Mn1 N4 102.66(16) . .
N5 Mn1 N4 78.91(17) . .
O6 Mn1 N4 155.19(15) . .
O8 Mn1 Mn2 47.88(11) . .
O1 Mn1 Mn2 36.92(10) . .
O10 Mn1 Mn2 134.15(11) . .
N5 Mn1 Mn2 137.40(12) . .
O6 Mn1 Mn2 74.99(11) . .
N4 Mn1 Mn2 110.02(12) . .
O1 Mn2 N1 172.35(18) . .
O1 Mn2 O7 90.22(16) . .
N1 Mn2 O7 85.97(19) . .
O1 Mn2 O4 97.02(16) . .
N1 Mn2 O4 86.90(19) . .
O7 Mn2 O4 172.75(16) . .
O1 Mn2 O2 94.15(15) . .
N1 Mn2 O2 92.63(19) . .
O7 Mn2 O2 92.46(17) . .
O4 Mn2 O2 86.60(17) . .
O1 Mn2 O8 76.14(14) . .
N1 Mn2 O8 97.46(18) . .
O7 Mn2 O8 93.60(15) . .
O4 Mn2 O8 88.58(15) . .
O2 Mn2 O8 168.56(15) . .
O1 Mn2 Mn1 38.77(10) . .
N1 Mn2 Mn1 133.97(15) . .
O7 Mn2 Mn1 83.76(12) . .
O4 Mn2 Mn1 102.17(12) . .
O2 Mn2 Mn1 132.47(12) . .
O8 Mn2 Mn1 39.04(9) . .
O1 Mn3 O10 173.69(16) . 7_557
O1 Mn3 O9 91.93(16) . 7_557
O10 Mn3 O9 83.11(15) 7_557 7_557
O1 Mn3 O5 95.96(16) . .
O10 Mn3 O5 88.45(16) 7_557 .
O9 Mn3 O5 168.95(16) 7_557 .
O1 Mn3 O3 95.60(15) . .
O10 Mn3 O3 89.04(15) 7_557 .
O9 Mn3 O3 98.88(15) 7_557 .
O5 Mn3 O3 88.06(15) . .
O1 Mn3 O9 83.11(15) . .
O10 Mn3 O9 92.01(15) 7_557 .
O9 Mn3 O9 77.76(15) 7_557 .
O5 Mn3 O9 95.48(15) . .
O3 Mn3 O9 176.33(16) . .
O1 Mn3 Mn3 86.66(11) . 7_557
O10 Mn3 Mn3 87.03(11) 7_557 7_557
O9 Mn3 Mn3 40.18(10) 7_557 7_557
O5 Mn3 Mn3 132.51(12) . 7_557
O3 Mn3 Mn3 139.03(12) . 7_557
O9 Mn3 Mn3 37.59(10) . 7_557
Mn3 O1 Mn2 123.07(19) . .
Mn3 O1 Mn1 122.03(18) . .
Mn2 O1 Mn1 104.31(15) . .
C1 O2 Mn2 135.0(4) . .
C1 O3 Mn3 128.0(4) . .
C6 O4 Mn2 129.7(4) . .
C6 O5 Mn3 133.7(4) . .
C11 O6 Mn1 128.4(4) . .
C11 O7 Mn2 126.2(4) . .
C16 O8 Mn1 120.5(3) . .
C16 O8 Mn2 119.6(3) . .
Mn1 O8 Mn2 93.09(15) . .
C18 O9 Mn3 124.7(3) . 7_557
C18 O9 Mn3 126.5(3) . .
Mn3 O9 Mn3 102.24(15) 7_557 .
C23 O10 Mn3 119.8(3) . 7_557
C23 O10 Mn1 119.0(3) . .
Mn3 O10 Mn1 118.69(18) 7_557 .
C25 O11 H11 97.1 . .
N2 N1 Mn2 119.5(4) . .
N3 N2 N1 176.4(8) . .
C17 N4 C20 113.6(4) . .
C17 N4 C19 111.0(4) . .
C20 N4 C19 108.9(4) . .
C17 N4 Mn1 100.5(3) . .
C20 N4 Mn1 105.2(3) . .
C19 N4 Mn1 117.5(3) . .
C21 N5 C22 110.3(4) . .
C21 N5 C24 114.0(4) . .
C22 N5 C24 108.8(4) . .
C21 N5 Mn1 108.6(3) . .
C22 N5 Mn1 104.1(3) . .
C24 N5 Mn1 110.7(3) . .
O2 C1 O3 125.0(6) . .
O2 C1 C2 117.5(6) . .
O3 C1 C2 117.3(6) . .
C4 C2 C5 110.2(7) . .
C4 C2 C3 110.8(6) . .
C5 C2 C3 109.0(6) . .
C4 C2 C1 111.4(5) . .
C5 C2 C1 107.0(5) . .
C3 C2 C1 108.3(5) . .
C2 C3 H3A 109.5 . .
C2 C3 H3B 109.5 . .
H3A C3 H3B 109.5 . .
C2 C3 H3C 109.5 . .
H3A C3 H3C 109.5 . .
H3B C3 H3C 109.5 . .
C2 C4 H4A 109.5 . .
C2 C4 H4B 109.5 . .
H4A C4 H4B 109.5 . .
C2 C4 H4C 109.5 . .
H4A C4 H4C 109.5 . .
H4B C4 H4C 109.5 . .
C2 C5 H5A 109.5 . .
C2 C5 H5B 109.5 . .
H5A C5 H5B 109.5 . .
C2 C5 H5C 109.5 . .
H5A C5 H5C 109.5 . .
H5B C5 H5C 109.5 . .
O5 C6 O4 124.7(6) . .
O5 C6 C7 119.2(6) . .
O4 C6 C7 116.1(6) . .
C8 C7 C9 112.1(6) . .
C8 C7 C6 108.7(5) . .
C9 C7 C6 111.0(6) . .
C8 C7 C10 108.7(6) . .
C9 C7 C10 108.6(6) . .
C6 C7 C10 107.7(5) . .
C7 C8 H8A 109.5 . .
C7 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
C7 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
C7 C9 H9A 109.5 . .
C7 C9 H9B 109.5 . .
H9A C9 H9B 109.5 . .
C7 C9 H9C 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
C7 C10 H10A 109.5 . .
C7 C10 H10B 109.5 . .
H10A C10 H10B 109.5 . .
C7 C10 H10C 109.5 . .
H10A C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
O6 C11 O7 125.5(6) . .
O6 C11 C12 117.7(6) . .
O7 C11 C12 116.8(6) . .
C14 C12 C15 110.3(7) . .
C14 C12 C13 109.1(6) . .
C15 C12 C13 109.8(6) . .
C14 C12 C11 108.9(5) . .
C15 C12 C11 107.2(5) . .
C13 C12 C11 111.6(6) . .
C12 C13 H13A 109.5 . .
C12 C13 H13B 109.5 . .
H13A C13 H13B 109.5 . .
C12 C13 H13C 109.5 . .
H13A C13 H13C 109.5 . .
H13B C13 H13C 109.5 . .
C12 C14 H14A 109.5 . .
C12 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
C12 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
C12 C15 H15A 109.5 . .
C12 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
C12 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
O8 C16 C17 110.8(5) . .
O8 C16 H16A 109.5 . .
C17 C16 H16A 109.5 . .
O8 C16 H16B 109.5 . .
C17 C16 H16B 109.5 . .
H16A C16 H16B 108.1 . .
N4 C17 C16 109.6(5) . .
N4 C17 H17A 109.7 . .
C16 C17 H17A 109.7 . .
N4 C17 H17B 109.7 . .
C16 C17 H17B 109.7 . .
H17A C17 H17B 108.2 . .
O9 C18 C19 110.1(4) . .
O9 C18 H18A 109.6 . .
C19 C18 H18A 109.6 . .
O9 C18 H18B 109.6 . .
C19 C18 H18B 109.6 . .
H18A C18 H18B 108.1 . .
N4 C19 C18 112.6(5) . .
N4 C19 H19A 109.1 . .
C18 C19 H19A 109.1 . .
N4 C19 H19B 109.1 . .
C18 C19 H19B 109.1 . .
H19A C19 H19B 107.8 . .
N4 C20 C21 110.2(5) . .
N4 C20 H20A 109.6 . .
C21 C20 H20A 109.6 . .
N4 C20 H20B 109.6 . .
C21 C20 H20B 109.6 . .
H20A C20 H20B 108.1 . .
N5 C21 C20 109.7(5) . .
N5 C21 H21A 109.7 . .
C20 C21 H21A 109.7 . .
N5 C21 H21B 109.7 . .
C20 C21 H21B 109.7 . .
H21A C21 H21B 108.2 . .
N5 C22 C23 109.6(4) . .
N5 C22 H22A 109.8 . .
C23 C22 H22A 109.8 . .
N5 C22 H22B 109.8 . .
C23 C22 H22B 109.8 . .
H22A C22 H22B 108.2 . .
O10 C23 C22 110.0(4) . .
O10 C23 H23A 109.7 . .
C22 C23 H23A 109.7 . .
O10 C23 H23B 109.7 . .
C22 C23 H23B 109.7 . .
H23A C23 H23B 108.2 . .
C25 C24 N5 117.5(5) . .
C25 C24 H24A 121.3 . .
N5 C24 H24A 121.3 . .
O11 C25 C24 110.1(5) . .
O11 C25 H25A 109.6 . .
C24 C25 H25A 109.6 . .
O11 C25 H25B 109.6 . .
C24 C25 H25B 109.6 . .
H25A C25 H25B 108.2 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mn1 O8 1.901(4) .
Mn1 O1 1.948(3) .
Mn1 O10 1.953(4) .
Mn1 N5 2.164(5) .
Mn1 O6 2.188(4) .
Mn1 N4 2.368(5) .
Mn1 Mn2 3.0145(13) .
Mn2 O1 1.869(3) .
Mn2 N1 1.957(5) .
Mn2 O7 1.987(4) .
Mn2 O4 2.011(4) .
Mn2 O2 2.085(4) .
Mn2 O8 2.239(4) .
Mn3 O1 1.847(3) .
Mn3 O10 1.940(3) 7_557
Mn3 O9 1.996(4) 7_557
Mn3 O5 2.044(4) .
Mn3 O3 2.096(4) .
Mn3 O9 2.111(4) .
Mn3 Mn3 3.1973(18) 7_557
O2 C1 1.241(7) .
O3 C1 1.272(7) .
O4 C6 1.269(7) .
O5 C6 1.257(7) .
O6 C11 1.239(7) .
O7 C11 1.278(7) .
O8 C16 1.439(6) .
O9 C18 1.427(6) .
O9 Mn3 1.996(4) 7_557
O10 C23 1.435(6) .
O10 Mn3 1.940(3) 7_557
O11 C25 1.434(7) .
O11 H11 1.1999 .
N1 N2 1.199(7) .
N2 N3 1.180(8) .
N4 C17 1.476(7) .
N4 C20 1.494(7) .
N4 C19 1.498(7) .
N5 C21 1.477(7) .
N5 C22 1.495(7) .
N5 C24 1.513(7) .
C1 C2 1.539(8) .
C2 C4 1.492(8) .
C2 C5 1.524(9) .
C2 C3 1.536(8) .
C3 H3A 0.9800 .
C3 H3B 0.9800 .
C3 H3C 0.9800 .
C4 H4A 0.9800 .
C4 H4B 0.9800 .
C4 H4C 0.9800 .
C5 H5A 0.9800 .
C5 H5B 0.9800 .
C5 H5C 0.9800 .
C6 C7 1.546(9) .
C7 C8 1.502(8) .
C7 C9 1.527(9) .
C7 C10 1.563(9) .
C8 H8A 0.9800 .
C8 H8B 0.9800 .
C8 H8C 0.9800 .
C9 H9A 0.9800 .
C9 H9B 0.9800 .
C9 H9C 0.9800 .
C10 H10A 0.9800 .
C10 H10B 0.9800 .
C10 H10C 0.9800 .
C11 C12 1.543(8) .
C12 C14 1.504(9) .
C12 C15 1.506(9) .
C12 C13 1.508(9) .
C13 H13A 0.9800 .
C13 H13B 0.9800 .
C13 H13C 0.9800 .
C14 H14A 0.9800 .
C14 H14B 0.9800 .
C14 H14C 0.9800 .
C15 H15A 0.9800 .
C15 H15B 0.9800 .
C15 H15C 0.9800 .
C16 C17 1.517(8) .
C16 H16A 0.9900 .
C16 H16B 0.9900 .
C17 H17A 0.9900 .
C17 H17B 0.9900 .
C18 C19 1.528(7) .
C18 H18A 0.9900 .
C18 H18B 0.9900 .
C19 H19A 0.9900 .
C19 H19B 0.9900 .
C20 C21 1.519(8) .
C20 H20A 0.9900 .
C20 H20B 0.9900 .
C21 H21A 0.9900 .
C21 H21B 0.9900 .
C22 C23 1.523(7) .
C22 H22A 0.9900 .
C22 H22B 0.9900 .
C23 H23A 0.9900 .
C23 H23B 0.9900 .
C24 C25 1.512(8) .
C24 H24A 0.9500 .
C25 H25A 0.9900 .
C25 H25B 0.9900 .
