#------------------------------------------------------------------------------
#$Date: 2016-03-22 23:56:43 +0200 (Tue, 22 Mar 2016) $
#$Revision: 179085 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/47/4304700.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_4304700
loop_
_publ_author_name
'Shigehisa Akine'
'Takanori Taniguchi'
'Tatsuya Nabeshima'
_publ_contact_author_address
;
Tsukuba, Ibaraki 305-8571, Japan
;
_publ_contact_author_email       nabesima@chem.tsukuba.ac.jp
_publ_contact_author_fax         +81-29-853-4507
_publ_contact_author_name        'Tatsuya Nabeshima'
_publ_contact_author_phone       +81-29-853-4507
_publ_section_title
;
Acyclic Bis(N2O2 chelate) Ligand for Trinuclear d-Block Homo- and
Heterometal Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3255
_journal_page_last               3264
_journal_paper_doi               10.1021/ic702255s
_journal_volume                  47
_journal_year                    2008
_chemical_formula_moiety         C34H40Mn3N4O16
_chemical_formula_sum            'C34 H40 Mn3 N4 O16'
_chemical_formula_weight         925.52
_chemical_name_common            '[LMn3(OAc)2(MeOH)2]'
_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                108.702(8)
_cell_angle_beta                 95.255(4)
_cell_angle_gamma                101.023(8)
_cell_formula_units_Z            2
_cell_length_a                   9.584(6)
_cell_length_b                   13.666(9)
_cell_length_c                   15.566(10)
_cell_measurement_reflns_used    14805
_cell_measurement_temperature    120
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      3.02
_cell_volume                     1870(2)
_computing_cell_refinement       'CrystalClear (Rigaku Corp., 2000)'
_computing_data_collection       'CrystalClear (Rigaku Corp., 2000)'
_computing_data_reduction        'CrystalClear (Rigaku Corp., 2000)'
_computing_molecular_graphics    ORTEP-3
_computing_publication_material  ORTEP-3
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'DIRDIF99 (Beurskens et al., 1999)'
_diffrn_ambient_temperature      120
_diffrn_measured_fraction_theta_full 0.953
_diffrn_measured_fraction_theta_max 0.953
_diffrn_measurement_device_type  'Rigaku Mercury CCD system'
_diffrn_measurement_method       CCD
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0245
_diffrn_reflns_av_sigmaI/netI    0.0358
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            14805
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.02
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.078
_exptl_absorpt_correction_T_max  0.8551
_exptl_absorpt_correction_T_min  0.6724
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'CrystalClear (Rigaku Corp., 2000)'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.644
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             950
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.398
_refine_diff_density_min         -0.329
_refine_diff_density_rms         0.066
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     528
_refine_ls_number_reflns         8188
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.069
_refine_ls_R_factor_all          0.0501
_refine_ls_R_factor_gt           0.0405
_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)+(0.0524P)²+1.2893P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0967
_refine_ls_wR_factor_ref         0.1012
_reflns_number_gt                7221
_reflns_number_total             8188
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic702255s-file003_3.cif
_cod_data_source_block           LMn3
_cod_database_code               4304700
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Mn1 Mn 0.69055(4) 0.84456(3) 0.30073(2) 0.01721(9) Uani 1 1 d . . .
Mn2 Mn 0.46640(4) 0.62405(3) 0.30990(2) 0.01415(9) Uani 1 1 d . . .
Mn3 Mn 0.21785(4) 0.38506(3) 0.16912(2) 0.01515(9) Uani 1 1 d . . .
C1 C 0.8865(3) 0.80003(18) 0.48585(16) 0.0188(5) Uani 1 1 d . . .
C2 C 0.7384(3) 0.75222(18) 0.45968(15) 0.0163(4) Uani 1 1 d . . .
C3 C 0.6717(3) 0.70053(18) 0.51568(16) 0.0173(5) Uani 1 1 d . . .
C4 C 0.7468(3) 0.6978(2) 0.59451(17) 0.0236(5) Uani 1 1 d . . .
H1 H 0.6982 0.6650 0.6322 0.028 Uiso 1 1 calc R . .
C5 C 0.8943(3) 0.7435(2) 0.61869(18) 0.0288(6) Uani 1 1 d . . .
H2 H 0.9473 0.7398 0.6718 0.035 Uiso 1 1 calc R . .
C6 C 0.9627(3) 0.7937(2) 0.56518(18) 0.0245(5) Uani 1 1 d . . .
H3 H 1.0632 0.8248 0.5819 0.029 Uiso 1 1 calc R . .
O1 O 0.65998(18) 0.75054(13) 0.38449(11) 0.0188(3) Uani 1 1 d . . .
O2 O 0.52812(18) 0.65447(14) 0.48329(11) 0.0217(4) Uani 1 1 d . . .
C7 C 0.4496(3) 0.6181(3) 0.5454(2) 0.0411(8) Uani 1 1 d . . .
H4 H 0.4917 0.5645 0.5606 0.062 Uiso 1 1 calc R . .
H5 H 0.3487 0.5866 0.5164 0.062 Uiso 1 1 calc R . .
H6 H 0.4547 0.6781 0.6018 0.062 Uiso 1 1 calc R . .
C8 C 0.9705(3) 0.85778(19) 0.43714(17) 0.0198(5) Uani 1 1 d . . .
H7 H 1.0696 0.8874 0.4626 0.024 Uiso 1 1 calc R . .
N1 N 0.9256(2) 0.87334(16) 0.36307(14) 0.0196(4) Uani 1 1 d . . .
O3 O 1.0455(2) 0.93693(15) 0.34232(13) 0.0269(4) Uani 1 1 d . . .
C9 C 1.0202(3) 0.9328(2) 0.24940(18) 0.0254(5) Uani 1 1 d . . .
H8 H 0.9808 0.8580 0.2089 0.030 Uiso 1 1 calc R . .
H9 H 1.1130 0.9585 0.2316 0.030 Uiso 1 1 calc R . .
C10 C 0.9157(3) 0.9993(2) 0.23425(18) 0.0253(5) Uani 1 1 d . . .
H10 H 0.8633 1.0164 0.2871 0.030 Uiso 1 1 calc R . .
H11 H 0.9710 1.0671 0.2317 0.030 Uiso 1 1 calc R . .
O4 O 0.8139(2) 0.94585(14) 0.15152(12) 0.0247(4) Uani 1 1 d . . .
N2 N 0.7184(2) 0.85782(16) 0.16150(14) 0.0195(4) Uani 1 1 d . . .
C11 C 0.6434(3) 0.79998(19) 0.08257(17) 0.0199(5) Uani 1 1 d . . .
H12 H 0.6633 0.8223 0.0322 0.024 Uiso 1 1 calc R . .
C12 C 0.5319(3) 0.70450(19) 0.06242(16) 0.0176(5) Uani 1 1 d . . .
C13 C 0.4937(3) 0.65876(18) 0.12841(15) 0.0157(4) Uani 1 1 d . . .
C14 C 0.3795(2) 0.56428(18) 0.10208(15) 0.0148(4) Uani 1 1 d . . .
C15 C 0.3144(3) 0.51643(19) 0.00895(15) 0.0171(5) Uani 1 1 d . . .
C16 C 0.3600(3) 0.5618(2) -0.05697(16) 0.0206(5) Uani 1 1 d . . .
H13 H 0.3176 0.5278 -0.1199 0.025 Uiso 1 1 calc R . .
C17 C 0.4638(3) 0.6535(2) -0.03097(16) 0.0204(5) Uani 1 1 d . . .
H14 H 0.4912 0.6839 -0.0756 0.024 Uiso 1 1 calc R . .
O5 O 0.55779(18) 0.69741(13) 0.21438(11) 0.0186(3) Uani 1 1 d . . .
O6 O 0.34392(17) 0.52757(13) 0.16751(11) 0.0161(3) Uani 1 1 d . . .
C18 C 0.2008(3) 0.42111(19) -0.02562(16) 0.0185(5) Uani 1 1 d . . .
H15 H 0.1696 0.3923 -0.0902 0.022 Uiso 1 1 calc R . .
N3 N 0.1375(2) 0.37122(16) 0.02311(13) 0.0188(4) Uani 1 1 d . . .
O7 O 0.03728(19) 0.27674(13) -0.03826(12) 0.0225(4) Uani 1 1 d . . .
C19 C -0.1061(3) 0.2772(2) -0.01962(17) 0.0237(5) Uani 1 1 d . . .
H16 H -0.1735 0.2145 -0.0661 0.028 Uiso 1 1 calc R . .
H17 H -0.1317 0.3415 -0.0264 0.028 Uiso 1 1 calc R . .
C20 C -0.1270(3) 0.2754(2) 0.07508(17) 0.0231(5) Uani 1 1 d . . .
H18 H -0.0738 0.3440 0.1218 0.028 Uiso 1 1 calc R . .
H19 H -0.2305 0.2672 0.0800 0.028 Uiso 1 1 calc R . .
O8 O -0.07741(18) 0.19087(14) 0.09362(12) 0.0231(4) Uani 1 1 d . . .
N4 N 0.0754(2) 0.21823(16) 0.12047(14) 0.0193(4) Uani 1 1 d . . .
C21 C 0.1184(3) 0.13221(19) 0.10640(16) 0.0197(5) Uani 1 1 d . . .
H20 H 0.0474 0.0676 0.0783 0.024 Uiso 1 1 calc R . .
C22 C 0.2644(3) 0.1233(2) 0.12902(17) 0.0212(5) Uani 1 1 d . . .
C23 C 0.3810(3) 0.21058(18) 0.17698(15) 0.0160(4) Uani 1 1 d . . .
C24 C 0.5154(3) 0.1859(2) 0.19661(16) 0.0204(5) Uani 1 1 d . . .
C25 C 0.5315(3) 0.0826(2) 0.1684(2) 0.0311(6) Uani 1 1 d . . .
H21 H 0.6228 0.0688 0.1824 0.037 Uiso 1 1 calc R . .
C26 C 0.4148(4) -0.0017(2) 0.1195(2) 0.0403(8) Uani 1 1 d . . .
H22 H 0.4266 -0.0725 0.0995 0.048 Uiso 1 1 calc R . .
C27 C 0.2839(3) 0.0186(2) 0.1007(2) 0.0331(6) Uani 1 1 d . . .
H23 H 0.2042 -0.0389 0.0679 0.040 Uiso 1 1 calc R . .
O9 O 0.37143(17) 0.31034(13) 0.20297(11) 0.0168(3) Uani 1 1 d . . .
O10 O 0.62504(18) 0.27285(14) 0.24494(12) 0.0225(4) Uani 1 1 d . . .
C28 C 0.7532(3) 0.2512(2) 0.2817(2) 0.0290(6) Uani 1 1 d . . .
H24 H 0.7289 0.2079 0.3201 0.044 Uiso 1 1 calc R . .
H25 H 0.8208 0.3183 0.3191 0.044 Uiso 1 1 calc R . .
H26 H 0.7978 0.2126 0.2312 0.044 Uiso 1 1 calc R . .
O11 O 0.4964(2) 0.90668(15) 0.32793(15) 0.0333(5) Uani 1 1 d . . .
O12 O 0.6995(2) 1.02179(16) 0.38841(15) 0.0346(5) Uani 1 1 d . . .
C29 C 0.5665(3) 1.0001(2) 0.37705(19) 0.0273(6) Uani 1 1 d . . .
C30 C 0.4831(4) 1.0811(2) 0.4174(2) 0.0417(8) Uani 1 1 d . . .
H27 H 0.5466 1.1413 0.4672 0.062 Uiso 1 1 calc R . .
H28 H 0.4029 1.0490 0.4418 0.062 Uiso 1 1 calc R . .
H29 H 0.4454 1.1060 0.3696 0.062 Uiso 1 1 calc R . .
O13 O 0.29154(18) 0.51440(14) 0.33532(12) 0.0198(3) Uani 1 1 d . . .
O14 O 0.07084(19) 0.44474(15) 0.25908(12) 0.0268(4) Uani 1 1 d . . .
C31 C 0.1576(3) 0.5057(2) 0.33018(17) 0.0213(5) Uani 1 1 d . . .
C32 C 0.1011(3) 0.5706(3) 0.4110(2) 0.0449(9) Uani 1 1 d . . .
H30 H 0.0096 0.5840 0.3896 0.067 Uiso 1 1 calc R . .
H31 H 0.1711 0.6384 0.4425 0.067 Uiso 1 1 calc R . .
H32 H 0.0857 0.5317 0.4537 0.067 Uiso 1 1 calc R . .
O15 O 0.3219(2) 0.73658(16) 0.33460(13) 0.0256(4) Uani 1 1 d . . .
H33 H 0.369(4) 0.792(3) 0.343(2) 0.030(9) Uiso 1 1 d . . .
C33 C 0.2010(3) 0.7215(3) 0.2664(2) 0.0390(7) Uani 1 1 d . . .
H34 H 0.2341 0.7484 0.2187 0.059 Uiso 1 1 calc R . .
H35 H 0.1317 0.7603 0.2953 0.059 Uiso 1 1 calc R . .
H36 H 0.1547 0.6457 0.2387 0.059 Uiso 1 1 calc R . .
O16 O 0.58137(19) 0.49790(15) 0.28883(12) 0.0206(4) Uani 1 1 d . . .
H37 H 0.540(4) 0.440(3) 0.267(2) 0.036(10) Uiso 1 1 d . . .
C34 C 0.7327(3) 0.5119(2) 0.31115(18) 0.0245(5) Uani 1 1 d . . .
H38 H 0.7817 0.5832 0.3145 0.037 Uiso 1 1 calc R . .
H39 H 0.7654 0.4586 0.2636 0.037 Uiso 1 1 calc R . .
H40 H 0.7553 0.5034 0.3707 0.037 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 0.0033 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'
Mn Mn 0.3368 0.7283 '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'
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
_geom_angle_publ_flag
O1 Mn1 O5 74.57(8) . . ?
O1 Mn1 O11 94.32(8) . . ?
O5 Mn1 O11 89.49(8) . . ?
O1 Mn1 N2 149.61(7) . . ?
O5 Mn1 N2 80.17(8) . . ?
O11 Mn1 N2 102.14(8) . . ?
O1 Mn1 N1 82.00(7) . . ?
O5 Mn1 N1 125.88(7) . . ?
O11 Mn1 N1 141.04(8) . . ?
N2 Mn1 N1 99.90(8) . . ?
O1 Mn1 O12 109.18(8) . . ?
O5 Mn1 O12 145.88(8) . . ?
O11 Mn1 O12 56.67(8) . . ?
N2 Mn1 O12 101.20(8) . . ?
N1 Mn1 O12 87.79(8) . . ?
O1 Mn1 C29 102.83(8) . . ?
O5 Mn1 C29 118.18(9) . . ?
O11 Mn1 C29 28.75(8) . . ?
N2 Mn1 C29 103.85(8) . . ?
N1 Mn1 C29 114.25(9) . . ?
O12 Mn1 C29 27.93(8) . . ?
O16 Mn2 O13 85.87(8) . . ?
O16 Mn2 O5 98.88(7) . . ?
O13 Mn2 O5 148.46(7) . . ?
O16 Mn2 O1 93.67(8) . . ?
O13 Mn2 O1 140.37(7) . . ?
O5 Mn2 O1 70.80(7) . . ?
O16 Mn2 O15 171.58(7) . . ?
O13 Mn2 O15 85.70(8) . . ?
O5 Mn2 O15 88.19(8) . . ?
O1 Mn2 O15 92.99(9) . . ?
O16 Mn2 O6 85.06(7) . . ?
O13 Mn2 O6 76.93(7) . . ?
O5 Mn2 O6 72.49(7) . . ?
O1 Mn2 O6 142.60(6) . . ?
O15 Mn2 O6 92.76(7) . . ?
O9 Mn3 O6 102.38(8) . . ?
O9 Mn3 O14 123.63(8) . . ?
O6 Mn3 O14 100.67(8) . . ?
O9 Mn3 N3 123.77(7) . . ?
O6 Mn3 N3 80.84(7) . . ?
O14 Mn3 N3 110.25(8) . . ?
O9 Mn3 N4 82.64(8) . . ?
O6 Mn3 N4 161.18(7) . . ?
O14 Mn3 N4 91.16(8) . . ?
N3 Mn3 N4 81.35(7) . . ?
C2 C1 C6 119.6(2) . . ?
C2 C1 C8 124.7(2) . . ?
C6 C1 C8 115.7(2) . . ?
O1 C2 C1 123.6(2) . . ?
O1 C2 C3 118.7(2) . . ?
C1 C2 C3 117.7(2) . . ?
O2 C3 C4 124.8(2) . . ?
O2 C3 C2 113.2(2) . . ?
C4 C3 C2 122.0(2) . . ?
C3 C4 C5 119.8(2) . . ?
C3 C4 H1 120.1 . . ?
C5 C4 H1 120.1 . . ?
C6 C5 C4 119.6(2) . . ?
C6 C5 H2 120.2 . . ?
C4 C5 H2 120.2 . . ?
C5 C6 C1 121.3(2) . . ?
C5 C6 H3 119.4 . . ?
C1 C6 H3 119.4 . . ?
C2 O1 Mn1 132.34(15) . . ?
C2 O1 Mn2 123.23(14) . . ?
Mn1 O1 Mn2 104.11(8) . . ?
C3 O2 C7 115.4(2) . . ?
O2 C7 H4 109.5 . . ?
O2 C7 H5 109.5 . . ?
H4 C7 H5 109.5 . . ?
O2 C7 H6 109.5 . . ?
H4 C7 H6 109.5 . . ?
H5 C7 H6 109.5 . . ?
N1 C8 C1 127.1(2) . . ?
N1 C8 H7 116.5 . . ?
C1 C8 H7 116.5 . . ?
C8 N1 O3 107.0(2) . . ?
C8 N1 Mn1 125.60(16) . . ?
O3 N1 Mn1 125.49(15) . . ?
C9 O3 N1 111.08(19) . . ?
O3 C9 C10 112.8(2) . . ?
O3 C9 H8 109.0 . . ?
C10 C9 H8 109.0 . . ?
O3 C9 H9 109.0 . . ?
C10 C9 H9 109.0 . . ?
H8 C9 H9 107.8 . . ?
O4 C10 C9 112.3(2) . . ?
O4 C10 H10 109.1 . . ?
C9 C10 H10 109.1 . . ?
O4 C10 H11 109.1 . . ?
C9 C10 H11 109.1 . . ?
H10 C10 H11 107.9 . . ?
N2 O4 C10 109.07(17) . . ?
C11 N2 O4 108.70(19) . . ?
C11 N2 Mn1 128.24(16) . . ?
O4 N2 Mn1 122.48(14) . . ?
N2 C11 C12 126.8(2) . . ?
N2 C11 H12 116.6 . . ?
C12 C11 H12 116.6 . . ?
C13 C12 C17 119.8(2) . . ?
C13 C12 C11 123.6(2) . . ?
C17 C12 C11 116.5(2) . . ?
O5 C13 C12 123.3(2) . . ?
O5 C13 C14 117.1(2) . . ?
C12 C13 C14 119.6(2) . . ?
O6 C14 C15 124.3(2) . . ?
O6 C14 C13 117.0(2) . . ?
C15 C14 C13 118.7(2) . . ?
C14 C15 C16 120.3(2) . . ?
C14 C15 C18 123.7(2) . . ?
C16 C15 C18 116.0(2) . . ?
C17 C16 C15 120.6(2) . . ?
C17 C16 H13 119.7 . . ?
C15 C16 H13 119.7 . . ?
C16 C17 C12 120.8(2) . . ?
C16 C17 H14 119.6 . . ?
C12 C17 H14 119.6 . . ?
C13 O5 Mn1 135.03(15) . . ?
C13 O5 Mn2 117.45(15) . . ?
Mn1 O5 Mn2 104.27(8) . . ?
C14 O6 Mn3 134.30(15) . . ?
C14 O6 Mn2 115.54(15) . . ?
Mn3 O6 Mn2 109.44(7) . . ?
N3 C18 C15 126.0(2) . . ?
N3 C18 H15 117.0 . . ?
C15 C18 H15 117.0 . . ?
C18 N3 O7 108.28(19) . . ?
C18 N3 Mn3 127.30(17) . . ?
O7 N3 Mn3 120.67(14) . . ?
C19 O7 N3 110.60(17) . . ?
O7 C19 C20 114.2(2) . . ?
O7 C19 H16 108.7 . . ?
C20 C19 H16 108.7 . . ?
O7 C19 H17 108.7 . . ?
C20 C19 H17 108.7 . . ?
H16 C19 H17 107.6 . . ?
O8 C20 C19 111.9(2) . . ?
O8 C20 H18 109.2 . . ?
C19 C20 H18 109.2 . . ?
O8 C20 H19 109.2 . . ?
C19 C20 H19 109.2 . . ?
H18 C20 H19 107.9 . . ?
N4 O8 C20 111.17(18) . . ?
C21 N4 O8 108.2(2) . . ?
C21 N4 Mn3 126.14(17) . . ?
O8 N4 Mn3 125.53(14) . . ?
N4 C21 C22 126.6(2) . . ?
N4 C21 H20 116.7 . . ?
C22 C21 H20 116.7 . . ?
C27 C22 C23 120.8(2) . . ?
C27 C22 C21 115.0(2) . . ?
C23 C22 C21 124.2(2) . . ?
O9 C23 C22 124.0(2) . . ?
O9 C23 C24 119.8(2) . . ?
C22 C23 C24 116.2(2) . . ?
O10 C24 C25 123.9(2) . . ?
O10 C24 C23 114.3(2) . . ?
C25 C24 C23 121.8(2) . . ?
C24 C25 C26 120.5(3) . . ?
C24 C25 H21 119.7 . . ?
C26 C25 H21 119.7 . . ?
C27 C26 C25 119.4(3) . . ?
C27 C26 H22 120.3 . . ?
C25 C26 H22 120.3 . . ?
C26 C27 C22 121.2(3) . . ?
C26 C27 H23 119.4 . . ?
C22 C27 H23 119.4 . . ?
C23 O9 Mn3 133.30(15) . . ?
C24 O10 C28 116.1(2) . . ?
O10 C28 H24 109.5 . . ?
O10 C28 H25 109.5 . . ?
H24 C28 H25 109.5 . . ?
O10 C28 H26 109.5 . . ?
H24 C28 H26 109.5 . . ?
H25 C28 H26 109.5 . . ?
C29 O11 Mn1 94.60(18) . . ?
C29 O12 Mn1 89.10(17) . . ?
O12 C29 O11 119.6(3) . . ?
O12 C29 C30 122.3(3) . . ?
O11 C29 C30 118.1(3) . . ?
O12 C29 Mn1 62.97(15) . . ?
O11 C29 Mn1 56.65(14) . . ?
C30 C29 Mn1 174.7(2) . . ?
C29 C30 H27 109.5 . . ?
C29 C30 H28 109.5 . . ?
H27 C30 H28 109.5 . . ?
C29 C30 H29 109.5 . . ?
H27 C30 H29 109.5 . . ?
H28 C30 H29 109.5 . . ?
C31 O13 Mn2 133.89(16) . . ?
C31 O14 Mn3 101.10(16) . . ?
O13 C31 O14 121.7(2) . . ?
O13 C31 C32 118.7(2) . . ?
O14 C31 C32 119.6(2) . . ?
C31 C32 H30 109.5 . . ?
C31 C32 H31 109.5 . . ?
H30 C32 H31 109.5 . . ?
C31 C32 H32 109.5 . . ?
H30 C32 H32 109.5 . . ?
H31 C32 H32 109.5 . . ?
C33 O15 Mn2 120.51(17) . . ?
C33 O15 H33 107(2) . . ?
Mn2 O15 H33 107(2) . . ?
O15 C33 H34 109.5 . . ?
O15 C33 H35 109.5 . . ?
H34 C33 H35 109.5 . . ?
O15 C33 H36 109.5 . . ?
H34 C33 H36 109.5 . . ?
H35 C33 H36 109.5 . . ?
C34 O16 Mn2 125.95(16) . . ?
C34 O16 H37 114(3) . . ?
Mn2 O16 H37 120(3) . . ?
O16 C34 H38 109.5 . . ?
O16 C34 H39 109.5 . . ?
H38 C34 H39 109.5 . . ?
O16 C34 H40 109.5 . . ?
H38 C34 H40 109.5 . . ?
H39 C34 H40 109.5 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Mn1 O1 2.1063(19) . ?
Mn1 O5 2.1081(19) . ?
Mn1 O11 2.209(2) . ?
Mn1 N2 2.267(2) . ?
Mn1 N1 2.278(2) . ?
Mn1 O12 2.348(2) . ?
Mn1 C29 2.636(3) . ?
Mn2 O16 2.173(2) . ?
Mn2 O13 2.1800(19) . ?
Mn2 O5 2.2003(18) . ?
Mn2 O1 2.2069(19) . ?
Mn2 O15 2.228(2) . ?
Mn2 O6 2.2552(19) . ?
Mn3 O9 2.0650(18) . ?
Mn3 O6 2.0954(19) . ?
Mn3 O14 2.163(2) . ?
Mn3 N3 2.268(2) . ?
Mn3 N4 2.269(2) . ?
C1 C2 1.406(3) . ?
C1 C6 1.412(3) . ?
C1 C8 1.449(3) . ?
C2 O1 1.323(3) . ?
C2 C3 1.411(3) . ?
C3 O2 1.372(3) . ?
C3 C4 1.379(3) . ?
C4 C5 1.394(4) . ?
C4 H1 0.9500 . ?
C5 C6 1.375(4) . ?
C5 H2 0.9500 . ?
C6 H3 0.9500 . ?
O2 C7 1.431(3) . ?
C7 H4 0.9800 . ?
C7 H5 0.9800 . ?
C7 H6 0.9800 . ?
C8 N1 1.289(3) . ?
C8 H7 0.9500 . ?
N1 O3 1.431(3) . ?
O3 C9 1.425(3) . ?
C9 C10 1.526(4) . ?
C9 H8 0.9900 . ?
C9 H9 0.9900 . ?
C10 O4 1.427(3) . ?
C10 H10 0.9900 . ?
C10 H11 0.9900 . ?
O4 N2 1.426(3) . ?
N2 C11 1.284(3) . ?
C11 C12 1.444(3) . ?
C11 H12 0.9500 . ?
C12 C13 1.405(3) . ?
C12 C17 1.424(3) . ?
C13 O5 1.311(3) . ?
C13 C14 1.439(3) . ?
C14 O6 1.316(3) . ?
C14 C15 1.410(3) . ?
C15 C16 1.420(3) . ?
C15 C18 1.440(3) . ?
C16 C17 1.359(4) . ?
C16 H13 0.9500 . ?
C17 H14 0.9500 . ?
C18 N3 1.291(3) . ?
C18 H15 0.9500 . ?
N3 O7 1.438(3) . ?
O7 C19 1.431(3) . ?
C19 C20 1.513(4) . ?
C19 H16 0.9900 . ?
C19 H17 0.9900 . ?
C20 O8 1.429(3) . ?
C20 H18 0.9900 . ?
C20 H19 0.9900 . ?
O8 N4 1.428(3) . ?
N4 C21 1.279(3) . ?
C21 C22 1.448(4) . ?
C21 H20 0.9500 . ?
C22 C27 1.410(4) . ?
C22 C23 1.413(3) . ?
C23 O9 1.316(3) . ?
C23 C24 1.423(3) . ?
C24 O10 1.373(3) . ?
C24 C25 1.381(4) . ?
C25 C26 1.395(4) . ?
C25 H21 0.9500 . ?
C26 C27 1.362(4) . ?
C26 H22 0.9500 . ?
C27 H23 0.9500 . ?
O10 C28 1.429(3) . ?
C28 H24 0.9800 . ?
C28 H25 0.9800 . ?
C28 H26 0.9800 . ?
O11 C29 1.272(3) . ?
O12 C29 1.235(4) . ?
C29 C30 1.498(4) . ?
C30 H27 0.9800 . ?
C30 H28 0.9800 . ?
C30 H29 0.9800 . ?
O13 C31 1.259(3) . ?
O14 C31 1.259(3) . ?
C31 C32 1.502(4) . ?
C32 H30 0.9800 . ?
C32 H31 0.9800 . ?
C32 H32 0.9800 . ?
O15 C33 1.433(4) . ?
O15 H33 0.77(3) . ?
C33 H34 0.9800 . ?
C33 H35 0.9800 . ?
C33 H36 0.9800 . ?
O16 C34 1.421(3) . ?
O16 H37 0.77(4) . ?
C34 H38 0.9800 . ?
C34 H39 0.9800 . ?
C34 H40 0.9800 . ?
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C6 C1 C2 O1 -177.1(2) . . . . ?
C8 C1 C2 O1 3.2(4) . . . . ?
C6 C1 C2 C3 0.8(3) . . . . ?
C8 C1 C2 C3 -178.8(2) . . . . ?
O1 C2 C3 O2 -0.6(3) . . . . ?
C1 C2 C3 O2 -178.6(2) . . . . ?
O1 C2 C3 C4 179.2(2) . . . . ?
C1 C2 C3 C4 1.2(4) . . . . ?
O2 C3 C4 C5 177.1(2) . . . . ?
C2 C3 C4 C5 -2.6(4) . . . . ?
C3 C4 C5 C6 2.0(4) . . . . ?
C4 C5 C6 C1 -0.1(4) . . . . ?
C2 C1 C6 C5 -1.3(4) . . . . ?
C8 C1 C6 C5 178.3(2) . . . . ?
C1 C2 O1 Mn1 -20.6(3) . . . . ?
C3 C2 O1 Mn1 161.52(16) . . . . ?
C1 C2 O1 Mn2 151.79(18) . . . . ?
C3 C2 O1 Mn2 -26.1(3) . . . . ?
O5 Mn1 O1 C2 154.1(2) . . . . ?
O11 Mn1 O1 C2 -117.7(2) . . . . ?
N2 Mn1 O1 C2 119.3(2) . . . . ?
N1 Mn1 O1 C2 23.3(2) . . . . ?
O12 Mn1 O1 C2 -61.5(2) . . . . ?
C29 Mn1 O1 C2 -89.8(2) . . . . ?
O5 Mn1 O1 Mn2 -19.32(7) . . . . ?
O11 Mn1 O1 Mn2 68.95(9) . . . . ?
N2 Mn1 O1 Mn2 -54.13(17) . . . . ?
N1 Mn1 O1 Mn2 -150.07(8) . . . . ?
O12 Mn1 O1 Mn2 125.09(8) . . . . ?
C29 Mn1 O1 Mn2 96.76(10) . . . . ?
O16 Mn2 O1 C2 -57.16(18) . . . . ?
O13 Mn2 O1 C2 30.8(2) . . . . ?
O5 Mn2 O1 C2 -155.29(18) . . . . ?
O15 Mn2 O1 C2 117.68(18) . . . . ?
O6 Mn2 O1 C2 -143.82(16) . . . . ?
O16 Mn2 O1 Mn1 117.01(8) . . . . ?
O13 Mn2 O1 Mn1 -155.03(8) . . . . ?
O5 Mn2 O1 Mn1 18.88(7) . . . . ?
O15 Mn2 O1 Mn1 -68.15(8) . . . . ?
O6 Mn2 O1 Mn1 30.34(14) . . . . ?
C4 C3 O2 C7 11.1(4) . . . . ?
C2 C3 O2 C7 -169.1(2) . . . . ?
C2 C1 C8 N1 -1.1(4) . . . . ?
C6 C1 C8 N1 179.3(2) . . . . ?
C1 C8 N1 O3 178.3(2) . . . . ?
C1 C8 N1 Mn1 13.4(4) . . . . ?
O1 Mn1 N1 C8 -18.9(2) . . . . ?
O5 Mn1 N1 C8 -83.3(2) . . . . ?
O11 Mn1 N1 C8 68.0(2) . . . . ?
N2 Mn1 N1 C8 -168.2(2) . . . . ?
O12 Mn1 N1 C8 90.8(2) . . . . ?
C29 Mn1 N1 C8 81.6(2) . . . . ?
O1 Mn1 N1 O3 178.86(18) . . . . ?
O5 Mn1 N1 O3 114.53(17) . . . . ?
O11 Mn1 N1 O3 -94.2(2) . . . . ?
N2 Mn1 N1 O3 29.57(18) . . . . ?
O12 Mn1 N1 O3 -71.42(18) . . . . ?
C29 Mn1 N1 O3 -80.62(19) . . . . ?
C8 N1 O3 C9 162.9(2) . . . . ?
Mn1 N1 O3 C9 -32.1(3) . . . . ?
N1 O3 C9 C10 75.6(3) . . . . ?
O3 C9 C10 O4 -137.4(2) . . . . ?
C9 C10 O4 N2 68.5(2) . . . . ?
C10 O4 N2 C11 -169.2(2) . . . . ?
C10 O4 N2 Mn1 18.8(2) . . . . ?
O1 Mn1 N2 C11 47.6(3) . . . . ?
O5 Mn1 N2 C11 13.6(2) . . . . ?
O11 Mn1 N2 C11 -73.7(2) . . . . ?
N1 Mn1 N2 C11 138.6(2) . . . . ?
O12 Mn1 N2 C11 -131.7(2) . . . . ?
C29 Mn1 N2 C11 -103.2(2) . . . . ?
O1 Mn1 N2 O4 -142.19(15) . . . . ?
O5 Mn1 N2 O4 -176.13(17) . . . . ?
O11 Mn1 N2 O4 96.53(17) . . . . ?
N1 Mn1 N2 O4 -51.13(17) . . . . ?
O12 Mn1 N2 O4 38.56(18) . . . . ?
C29 Mn1 N2 O4 67.06(18) . . . . ?
O4 N2 C11 C12 -178.6(2) . . . . ?
Mn1 N2 C11 C12 -7.3(4) . . . . ?
N2 C11 C12 C13 -2.6(4) . . . . ?
N2 C11 C12 C17 -179.8(2) . . . . ?
C17 C12 C13 O5 175.6(2) . . . . ?
C11 C12 C13 O5 -1.5(4) . . . . ?
C17 C12 C13 C14 -3.8(3) . . . . ?
C11 C12 C13 C14 179.1(2) . . . . ?
O5 C13 C14 O6 3.4(3) . . . . ?
C12 C13 C14 O6 -177.1(2) . . . . ?
O5 C13 C14 C15 -175.9(2) . . . . ?
C12 C13 C14 C15 3.6(3) . . . . ?
O6 C14 C15 C16 180.0(2) . . . . ?
C13 C14 C15 C16 -0.8(3) . . . . ?
O6 C14 C15 C18 -0.1(4) . . . . ?
C13 C14 C15 C18 179.2(2) . . . . ?
C14 C15 C16 C17 -1.9(4) . . . . ?
C18 C15 C16 C17 178.1(2) . . . . ?
C15 C16 C17 C12 1.8(4) . . . . ?
C13 C12 C17 C16 1.2(4) . . . . ?
C11 C12 C17 C16 178.5(2) . . . . ?
C12 C13 O5 Mn1 17.7(4) . . . . ?
C14 C13 O5 Mn1 -162.86(15) . . . . ?
C12 C13 O5 Mn2 173.60(17) . . . . ?
C14 C13 O5 Mn2 -6.9(3) . . . . ?
O1 Mn1 O5 C13 177.5(2) . . . . ?
O11 Mn1 O5 C13 82.9(2) . . . . ?
N2 Mn1 O5 C13 -19.5(2) . . . . ?
N1 Mn1 O5 C13 -114.7(2) . . . . ?
O12 Mn1 O5 C13 75.9(2) . . . . ?
C29 Mn1 O5 C13 81.0(2) . . . . ?
O1 Mn1 O5 Mn2 19.40(7) . . . . ?
O11 Mn1 O5 Mn2 -75.22(8) . . . . ?
N2 Mn1 O5 Mn2 -177.64(8) . . . . ?
N1 Mn1 O5 Mn2 87.20(10) . . . . ?
O12 Mn1 O5 Mn2 -82.15(13) . . . . ?
C29 Mn1 O5 Mn2 -77.11(9) . . . . ?
O16 Mn2 O5 C13 87.60(17) . . . . ?
O13 Mn2 O5 C13 -9.0(2) . . . . ?
O1 Mn2 O5 C13 178.41(17) . . . . ?
O15 Mn2 O5 C13 -87.79(17) . . . . ?
O6 Mn2 O5 C13 5.68(15) . . . . ?
O16 Mn2 O5 Mn1 -109.69(8) . . . . ?
O13 Mn2 O5 Mn1 153.69(10) . . . . ?
O1 Mn2 O5 Mn1 -18.88(7) . . . . ?
O15 Mn2 O5 Mn1 74.92(9) . . . . ?
O6 Mn2 O5 Mn1 168.39(8) . . . . ?
C15 C14 O6 Mn3 11.9(3) . . . . ?
C13 C14 O6 Mn3 -167.40(15) . . . . ?
C15 C14 O6 Mn2 -179.09(17) . . . . ?
C13 C14 O6 Mn2 1.6(2) . . . . ?
O9 Mn3 O6 C14 105.6(2) . . . . ?
O14 Mn3 O6 C14 -126.2(2) . . . . ?
N3 Mn3 O6 C14 -17.1(2) . . . . ?
N4 Mn3 O6 C14 1.9(3) . . . . ?
O9 Mn3 O6 Mn2 -63.90(8) . . . . ?
O14 Mn3 O6 Mn2 64.29(9) . . . . ?
N3 Mn3 O6 Mn2 173.34(8) . . . . ?
N4 Mn3 O6 Mn2 -167.65(18) . . . . ?
O16 Mn2 O6 C14 -104.68(16) . . . . ?
O13 Mn2 O6 C14 168.42(16) . . . . ?
O5 Mn2 O6 C14 -3.74(14) . . . . ?
O1 Mn2 O6 C14 -15.1(2) . . . . ?
O15 Mn2 O6 C14 83.48(16) . . . . ?
O16 Mn2 O6 Mn3 67.03(9) . . . . ?
O13 Mn2 O6 Mn3 -19.87(7) . . . . ?
O5 Mn2 O6 Mn3 167.97(9) . . . . ?
O1 Mn2 O6 Mn3 156.62(8) . . . . ?
O15 Mn2 O6 Mn3 -104.81(9) . . . . ?
C14 C15 C18 N3 4.8(4) . . . . ?
C16 C15 C18 N3 -175.3(2) . . . . ?
C15 C18 N3 O7 -176.4(2) . . . . ?
C15 C18 N3 Mn3 -18.4(3) . . . . ?
O9 Mn3 N3 C18 -79.2(2) . . . . ?
O6 Mn3 N3 C18 19.7(2) . . . . ?
O14 Mn3 N3 C18 117.7(2) . . . . ?
N4 Mn3 N3 C18 -154.2(2) . . . . ?
O9 Mn3 N3 O7 76.40(18) . . . . ?
O6 Mn3 N3 O7 175.22(16) . . . . ?
O14 Mn3 N3 O7 -86.71(16) . . . . ?
N4 Mn3 N3 O7 1.32(15) . . . . ?
C18 N3 O7 C19 -120.8(2) . . . . ?
Mn3 N3 O7 C19 79.5(2) . . . . ?
N3 O7 C19 C20 -63.2(3) . . . . ?
O7 C19 C20 O8 -52.2(3) . . . . ?
C19 C20 O8 N4 80.2(2) . . . . ?
C20 O8 N4 C21 -158.7(2) . . . . ?
C20 O8 N4 Mn3 17.0(2) . . . . ?
O9 Mn3 N4 C21 -15.4(2) . . . . ?
O6 Mn3 N4 C21 91.6(3) . . . . ?
O14 Mn3 N4 C21 -139.2(2) . . . . ?
N3 Mn3 N4 C21 110.5(2) . . . . ?
O9 Mn3 N4 O8 169.67(17) . . . . ?
O6 Mn3 N4 O8 -83.4(3) . . . . ?
O14 Mn3 N4 O8 45.90(17) . . . . ?
N3 Mn3 N4 O8 -64.41(17) . . . . ?
O8 N4 C21 C22 -176.1(2) . . . . ?
Mn3 N4 C21 C22 8.2(4) . . . . ?
N4 C21 C22 C27 -176.1(2) . . . . ?
N4 C21 C22 C23 4.8(4) . . . . ?
C27 C22 C23 O9 177.9(2) . . . . ?
C21 C22 C23 O9 -3.1(4) . . . . ?
C27 C22 C23 C24 -1.7(4) . . . . ?
C21 C22 C23 C24 177.3(2) . . . . ?
O9 C23 C24 O10 1.7(3) . . . . ?
C22 C23 C24 O10 -178.7(2) . . . . ?
O9 C23 C24 C25 -178.1(2) . . . . ?
C22 C23 C24 C25 1.5(4) . . . . ?
O10 C24 C25 C26 180.0(3) . . . . ?
C23 C24 C25 C26 -0.3(4) . . . . ?
C24 C25 C26 C27 -0.8(5) . . . . ?
C25 C26 C27 C22 0.6(5) . . . . ?
C23 C22 C27 C26 0.7(4) . . . . ?
C21 C22 C27 C26 -178.3(3) . . . . ?
C22 C23 O9 Mn3 -13.8(3) . . . . ?
C24 C23 O9 Mn3 165.75(16) . . . . ?
O6 Mn3 O9 C23 -142.80(19) . . . . ?
O14 Mn3 O9 C23 105.3(2) . . . . ?
N3 Mn3 O9 C23 -55.6(2) . . . . ?
N4 Mn3 O9 C23 18.79(19) . . . . ?
C25 C24 O10 C28 -12.1(4) . . . . ?
C23 C24 O10 C28 168.1(2) . . . . ?
O1 Mn1 O11 C29 108.98(16) . . . . ?
O5 Mn1 O11 C29 -176.53(16) . . . . ?
N2 Mn1 O11 C29 -96.71(17) . . . . ?
N1 Mn1 O11 C29 26.4(2) . . . . ?
O12 Mn1 O11 C29 -1.18(15) . . . . ?
O1 Mn1 O12 C29 -81.13(17) . . . . ?
O5 Mn1 O12 C29 9.5(2) . . . . ?
O11 Mn1 O12 C29 1.21(15) . . . . ?
N2 Mn1 O12 C29 98.47(16) . . . . ?
N1 Mn1 O12 C29 -161.88(16) . . . . ?
Mn1 O12 C29 O11 -2.0(3) . . . . ?
Mn1 O12 C29 C30 179.5(3) . . . . ?
Mn1 O11 C29 O12 2.2(3) . . . . ?
Mn1 O11 C29 C30 -179.3(2) . . . . ?
O1 Mn1 C29 O12 106.85(16) . . . . ?
O5 Mn1 C29 O12 -173.97(14) . . . . ?
O11 Mn1 C29 O12 -177.9(3) . . . . ?
N2 Mn1 C29 O12 -87.84(17) . . . . ?
N1 Mn1 C29 O12 19.93(18) . . . . ?
O1 Mn1 C29 O11 -75.25(17) . . . . ?
O5 Mn1 C29 O11 3.93(18) . . . . ?
N2 Mn1 C29 O11 90.06(16) . . . . ?
N1 Mn1 C29 O11 -162.17(15) . . . . ?
O12 Mn1 C29 O11 177.9(3) . . . . ?
O1 Mn1 C29 C30 -69(2) . . . . ?
O5 Mn1 C29 C30 10(2) . . . . ?
O11 Mn1 C29 C30 6(2) . . . . ?
N2 Mn1 C29 C30 97(2) . . . . ?
N1 Mn1 C29 C30 -156(2) . . . . ?
O12 Mn1 C29 C30 -176(2) . . . . ?
O16 Mn2 O13 C31 -156.6(2) . . . . ?
O5 Mn2 O13 C31 -56.3(3) . . . . ?
O1 Mn2 O13 C31 112.6(2) . . . . ?
O15 Mn2 O13 C31 23.1(2) . . . . ?
O6 Mn2 O13 C31 -70.7(2) . . . . ?
O9 Mn3 O14 C31 55.81(19) . . . . ?
O6 Mn3 O14 C31 -56.98(17) . . . . ?
N3 Mn3 O14 C31 -141.05(16) . . . . ?
N4 Mn3 O14 C31 137.74(16) . . . . ?
Mn2 O13 C31 O14 94.6(3) . . . . ?
Mn2 O13 C31 C32 -85.0(3) . . . . ?
Mn3 O14 C31 O13 -3.0(3) . . . . ?
Mn3 O14 C31 C32 176.6(2) . . . . ?
O16 Mn2 O15 C33 -72.8(5) . . . . ?
O13 Mn2 O15 C33 -74.7(2) . . . . ?
O5 Mn2 O15 C33 74.3(2) . . . . ?
O1 Mn2 O15 C33 145.0(2) . . . . ?
O6 Mn2 O15 C33 2.0(2) . . . . ?
O13 Mn2 O16 C34 -146.67(19) . . . . ?
O5 Mn2 O16 C34 64.73(19) . . . . ?
O1 Mn2 O16 C34 -6.39(19) . . . . ?
O15 Mn2 O16 C34 -148.5(4) . . . . ?
O6 Mn2 O16 C34 136.12(19) . . . . ?
