#------------------------------------------------------------------------------
#$Date: 2016-03-25 14:00:43 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179875 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/71/7017113.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_7017113
loop_
_publ_author_name
'Flamourakis, Andreas G.'
'Tzimopoulos, Demetrios'
'Siczek, Milosz'
'Lis, Tadeusz'
'O'Brien, James R'
'Akrivos, Pericles D.'
'Milios, Constantinos J.'
_publ_section_title
;
 A new oxime ligand in manganese chemistry: a [Mn(8)] and a [Mn(6)] cage
 from the use of 2-dihydroxy-2-phenylacetamidine.
;
_journal_issue                   43
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              11371
_journal_page_last               11373
_journal_paper_doi               10.1039/c1dt11455g
_journal_volume                  40
_journal_year                    2011
_chemical_formula_moiety         'C56 H70 Mn6 N12 O22, 10(C H4 O)'
_chemical_formula_sum            'C66 H110 Mn6 N12 O32'
_chemical_formula_weight         1913.30
_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                95.80(5)
_cell_angle_beta                 105.73(5)
_cell_angle_gamma                99.28(5)
_cell_formula_units_Z            1
_cell_length_a                   11.514(3)
_cell_length_b                   11.767(4)
_cell_length_c                   17.730(6)
_cell_measurement_reflns_used    11577
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      29.0
_cell_measurement_theta_min      2.5
_cell_volume                     2255.3(15)
_computing_cell_refinement       'CrysAlis CCD, Oxford Diffraction Ltd.'
_computing_data_collection       'CrysAlis RED, Oxford Diffraction Ltd.'
_computing_data_reduction        'CrysAlis RED, Oxford Diffraction Ltd.'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.959
_diffrn_measurement_device_type  'Xcalibur PX KM4CCD'
_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  0.0530
_diffrn_reflns_av_sigmaI/netI    0.1266
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            25491
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         28.96
_diffrn_reflns_theta_min         2.51
_exptl_absorpt_coefficient_mu    0.897
_exptl_absorpt_correction_T_max  0.964
_exptl_absorpt_correction_T_min  0.776
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.33.42 (release 29-05-2009 CrysAlis171 .NET)
(compiled May 29 2009,17:40:42)
Analytical numeric absorption correction using a multifaceted crystal
model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
;
_exptl_crystal_colour            red-brown
_exptl_crystal_density_diffrn    1.409
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             996
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.30
_refine_diff_density_min         -0.82
_refine_diff_density_rms         0.109
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.013
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     537
_refine_ls_number_reflns         11459
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.013
_refine_ls_R_factor_all          0.1390
_refine_ls_R_factor_gt           0.0679
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0920P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1751
_refine_ls_wR_factor_ref         0.1942
_reflns_number_gt                5759
_reflns_number_total             11459
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1dt11455g.txt
_cod_data_source_block           af78a
_cod_database_code               7017113
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 0.39093(6) 0.57200(6) 0.47263(4) 0.02235(18) Uani 1 1 d . . .
Mn2 Mn 0.39274(6) 0.45224(7) 0.30187(4) 0.0269(2) Uani 1 1 d . A .
Mn3 Mn 0.14852(6) 0.39153(7) 0.35537(4) 0.0295(2) Uani 1 1 d . A .
O1 O 0.3197(2) 0.4530(3) 0.38478(17) 0.0224(7) Uani 1 1 d . . .
O11 O 0.4413(2) 0.6797(3) 0.56752(18) 0.0236(7) Uani 1 1 d . . .
O21 O 0.1224(3) 0.4847(3) 0.4442(2) 0.0362(9) Uani 1 1 d . . .
N11 N 0.1294(3) 0.6058(4) 0.5847(3) 0.0388(12) Uani 1 1 d . . .
H11A H 0.0578 0.5656 0.5543 0.047 Uiso 1 1 d R . .
H11B H 0.1295 0.6463 0.6292 0.047 Uiso 1 1 d R . .
N21 N 0.2305(3) 0.5593(3) 0.4917(2) 0.0255(9) Uani 1 1 d . . .
C11 C 0.3325(4) 0.8178(4) 0.6186(3) 0.0300(11) Uani 1 1 d . . .
C21 C 0.3240(5) 0.8838(5) 0.5584(4) 0.0471(15) Uani 1 1 d . . .
H21 H 0.3332 0.8525 0.5093 0.057 Uiso 1 1 calc R . .
C31 C 0.3022(7) 0.9960(6) 0.5691(5) 0.066(2) Uani 1 1 d . . .
H31 H 0.2969 1.0418 0.5276 0.079 Uiso 1 1 calc R . .
C41 C 0.2878(7) 1.0414(6) 0.6419(5) 0.066(2) Uani 1 1 d . . .
H41 H 0.2714 1.1177 0.6492 0.080 Uiso 1 1 calc R . .
C51 C 0.2972(6) 0.9778(6) 0.7005(4) 0.0564(18) Uani 1 1 d . . .
H51 H 0.2883 1.0095 0.7496 0.068 Uiso 1 1 calc R . .
C61 C 0.3202(5) 0.8648(5) 0.6905(3) 0.0409(13) Uani 1 1 d . . .
H61 H 0.3273 0.8203 0.7328 0.049 Uiso 1 1 calc R . .
C71 C 0.3498(4) 0.6931(4) 0.6068(3) 0.0239(10) Uani 1 1 d . . .
H71 H 0.3756 0.6677 0.6600 0.029 Uiso 1 1 calc R . .
C81 C 0.2278(4) 0.6149(4) 0.5584(3) 0.0236(10) Uani 1 1 d . . .
O12 O 0.4987(3) 0.4562(3) 0.23723(18) 0.0299(8) Uani 1 1 d . . .
O22 O 0.5544(2) 0.5834(3) 0.45752(17) 0.0211(7) Uani 1 1 d . . .
N12 N 0.7438(3) 0.6452(3) 0.3977(2) 0.0291(9) Uani 1 1 d . . .
H12A H 0.8122 0.6806 0.3901 0.035 Uiso 1 1 d R . .
H12B H 0.7564 0.6815 0.4459 0.035 Uiso 1 1 d R . .
N22 N 0.5394(3) 0.5533(3) 0.3765(2) 0.0233(8) Uani 1 1 d . . .
C12 C 0.6273(5) 0.6303(5) 0.2164(3) 0.0367(13) Uani 1 1 d . . .
C22 C 0.5277(7) 0.6819(5) 0.1875(3) 0.0527(17) Uani 1 1 d . . .
H22 H 0.4531 0.6577 0.1998 0.063 Uiso 1 1 calc R . .
C32 C 0.5363(8) 0.7701(6) 0.1400(4) 0.073(2) Uani 1 1 d . . .
H32 H 0.4677 0.8050 0.1195 0.087 Uiso 1 1 calc R . .
C42 C 0.6467(11) 0.8052(7) 0.1237(4) 0.088(3) Uani 1 1 d . . .
H42 H 0.6532 0.8635 0.0909 0.106 Uiso 1 1 calc R . .
C52 C 0.7452(9) 0.7575(7) 0.1539(4) 0.076(3) Uani 1 1 d . . .
H52 H 0.8210 0.7840 0.1436 0.091 Uiso 1 1 calc R . .
C62 C 0.7356(6) 0.6696(5) 0.2001(4) 0.0538(17) Uani 1 1 d . . .
H62 H 0.8052 0.6362 0.2208 0.065 Uiso 1 1 calc R . .
C72 C 0.6149(4) 0.5342(4) 0.2654(3) 0.0291(11) Uani 1 1 d . . .
H72 H 0.6798 0.4880 0.2629 0.035 Uiso 1 1 calc R . .
C82 C 0.6367(4) 0.5832(4) 0.3521(3) 0.0255(10) Uani 1 1 d . . .
O13 O -0.0140(3) 0.3065(4) 0.3120(2) 0.0456(10) Uani 1 1 d . . .
O23 O 0.2778(3) 0.3165(3) 0.2385(2) 0.0401(10) Uani 1 1 d . . .
N13 N 0.0777(4) 0.1599(5) 0.1512(3) 0.0575(15) Uani 1 1 d . . .
H13A H 0.0100 0.1124 0.1215 0.069 Uiso 1 1 d R . .
H13B H 0.1529 0.1667 0.1471 0.069 Uiso 1 1 d R . .
N23 N 0.1690(3) 0.3059(4) 0.2604(3) 0.0393(11) Uani 1 1 d . . .
C13 C -0.1508(4) 0.2361(6) 0.1776(3) 0.0443(15) Uani 1 1 d . . .
C23 C -0.1793(6) 0.3424(6) 0.1745(4) 0.0565(17) Uani 1 1 d . . .
H23 H -0.1286 0.4089 0.2099 0.068 Uiso 1 1 calc R . .
C33 C -0.2836(6) 0.3504(7) 0.1186(4) 0.070(2) Uani 1 1 d . . .
H33 H -0.3035 0.4254 0.1153 0.084 Uiso 1 1 calc R . .
C43 C -0.3619(6) 0.2585(8) 0.0669(4) 0.076(2) Uani 1 1 d . . .
H43 H -0.4352 0.2695 0.0305 0.091 Uiso 1 1 calc R . .
C53 C -0.3332(6) 0.1494(7) 0.0681(4) 0.069(2) Uani 1 1 d . . .
H53 H -0.3852 0.0842 0.0320 0.083 Uiso 1 1 calc R . .
C63 C -0.2237(5) 0.1367(6) 0.1247(4) 0.0537(17) Uani 1 1 d . . .
H63 H -0.2002 0.0630 0.1268 0.064 Uiso 1 1 calc R . .
C73 C -0.0397(5) 0.2180(5) 0.2446(3) 0.0393(13) Uani 1 1 d . . .
H73 H -0.0592 0.1396 0.2605 0.047 Uiso 1 1 calc R . .
C83 C 0.0754(5) 0.2265(5) 0.2168(3) 0.0376(13) Uani 1 1 d . . .
O14 O 0.1048(4) 0.5370(4) 0.2837(3) 0.0650(13) Uani 1 1 d . . .
O24 O 0.2841(4) 0.5738(4) 0.2475(3) 0.0616(13) Uani 1 1 d . . .
C14 C 0.1651(7) 0.5664(7) 0.2353(4) 0.069(2) Uani 0.56(4) 1 d P A 1
C24 C 0.0832(16) 0.569(2) 0.1486(10) 0.084(7) Uiso 0.56(4) 1 d P A 1
H24D H 0.0638 0.4909 0.1176 0.127 Uiso 0.56(4) 1 calc PR A 1
H24E H 0.1283 0.6239 0.1234 0.127 Uiso 0.56(4) 1 calc PR A 1
H24F H 0.0067 0.5937 0.1508 0.127 Uiso 0.56(4) 1 calc PR A 1
C141 C 0.1651(7) 0.5664(7) 0.2353(4) 0.069(2) Uani 0.44(4) 1 d P A 2
C241 C 0.113(2) 0.648(4) 0.1691(16) 0.102(10) Uiso 0.44(4) 1 d P A 2
H24A H 0.0364 0.6680 0.1755 0.153 Uiso 0.44(4) 1 calc PR A 2
H24B H 0.0968 0.6050 0.1158 0.153 Uiso 0.44(4) 1 calc PR A 2
H24C H 0.1743 0.7194 0.1764 0.153 Uiso 0.44(4) 1 calc PR A 2
O1M O 0.3573(3) 0.7118(3) 0.3935(2) 0.0370(8) Uani 1 1 d . . .
H1M H 0.3215 0.6762 0.3475 0.055 Uiso 1 1 calc R . .
C1M C 0.4499(7) 0.8028(7) 0.3910(5) 0.077(2) Uani 1 1 d . . .
H1M1 H 0.4636 0.8650 0.4355 0.115 Uiso 1 1 calc R . .
H1M2 H 0.4249 0.8334 0.3410 0.115 Uiso 1 1 calc R . .
H1M3 H 0.5262 0.7738 0.3950 0.115 Uiso 1 1 calc R . .
O2M O 0.1820(3) 0.2460(3) 0.4332(2) 0.0417(10) Uani 1 1 d . . .
H2M H 0.2384 0.2143 0.4245 0.050 Uiso 1 1 d R A .
C2M C 0.0838(5) 0.1523(6) 0.4335(4) 0.0590(18) Uani 1 1 d . A .
H2M1 H 0.0061 0.1803 0.4232 0.088 Uiso 1 1 calc R . .
H2M2 H 0.1024 0.1259 0.4854 0.088 Uiso 1 1 calc R . .
H2M3 H 0.0766 0.0874 0.3922 0.088 Uiso 1 1 calc R . .
O3M O 0.6391(3) 0.8512(3) 0.5904(2) 0.0487(11) Uani 1 1 d . . .
H3M H 0.5750 0.8005 0.5829 0.073 Uiso 1 1 calc R . .
C3M C 0.6662(6) 0.9171(6) 0.6635(4) 0.0650(19) Uani 1 1 d . . .
H3M1 H 0.6962 0.8706 0.7048 0.097 Uiso 1 1 calc R . .
H3M2 H 0.5919 0.9421 0.6700 0.097 Uiso 1 1 calc R . .
H3M3 H 0.7298 0.9857 0.6678 0.097 Uiso 1 1 calc R . .
O4M O 0.3859(4) 0.3675(4) 0.0811(2) 0.0592(12) Uani 1 1 d . . .
H4M H 0.4293 0.4001 0.1267 0.089 Uiso 1 1 d R B .
C4M C 0.3011(12) 0.4265(11) 0.0533(7) 0.062(4) Uiso 0.559(15) 1 d P B 1
H4M1 H 0.3389 0.5091 0.0600 0.093 Uiso 0.559(15) 1 calc PR B 1
H4M2 H 0.2395 0.4174 0.0821 0.093 Uiso 0.559(15) 1 calc PR B 1
H4M3 H 0.2614 0.3974 -0.0032 0.093 Uiso 0.559(15) 1 calc PR B 1
C4MA C 0.3977(19) 0.4551(17) 0.0300(11) 0.087(7) Uiso 0.441(15) 1 d P B 2
H4M4 H 0.3454 0.4242 -0.0241 0.131 Uiso 0.441(15) 1 calc PR B 2
H4M5 H 0.4836 0.4753 0.0300 0.131 Uiso 0.441(15) 1 calc PR B 2
H4M6 H 0.3719 0.5249 0.0496 0.131 Uiso 0.441(15) 1 calc PR B 2
O5M O -0.0791(4) -0.0587(4) 0.0581(3) 0.0792(16) Uani 1 1 d . . .
H5M H -0.1452 -0.0875 0.0225 0.119 Uiso 1 1 d R . .
C5M C 0.0075(9) -0.1395(12) 0.0607(6) 0.151(5) Uani 1 1 d . . .
H5M1 H 0.0601 -0.1179 0.0272 0.226 Uiso 1 1 calc R . .
H5M2 H -0.0390 -0.2193 0.0411 0.226 Uiso 1 1 calc R . .
H5M3 H 0.0587 -0.1347 0.1154 0.226 Uiso 1 1 calc R . .
O6M O 0.9768(4) 0.6740(4) 0.3647(4) 0.0759(16) Uani 1 1 d . . .
H6M H 1.0157 0.6227 0.3549 0.114 Uiso 1 1 calc R . .
C6M C 1.0448(7) 0.7803(7) 0.3690(6) 0.105(3) Uani 1 1 d . . .
H6M1 H 0.9934 0.8391 0.3690 0.157 Uiso 1 1 calc R . .
H6M2 H 1.0770 0.7818 0.3232 0.157 Uiso 1 1 calc R . .
H6M3 H 1.1136 0.7974 0.4180 0.157 Uiso 1 1 calc R . .
O7M O 0.2815(4) 0.1453(4) 0.0717(3) 0.0706(14) Uani 1 1 d . . .
H7M H 0.3156 0.2149 0.0743 0.106 Uiso 1 1 calc R . .
C7M C 0.3619(7) 0.0893(8) 0.1265(5) 0.082(2) Uani 1 1 d . . .
H7M1 H 0.4324 0.0788 0.1075 0.123 Uiso 1 1 calc R . .
H7M2 H 0.3168 0.0132 0.1306 0.123 Uiso 1 1 calc R . .
H7M3 H 0.3911 0.1379 0.1788 0.123 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'
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
O1 Mn1 O11 170.38(13) . .
O1 Mn1 N21 88.75(15) . .
O11 Mn1 N21 82.67(15) . .
O1 Mn1 O22 92.39(13) . .
O11 Mn1 O22 96.05(13) . .
N21 Mn1 O22 177.83(15) . .
O1 Mn1 O22 84.32(13) . 2_666
O11 Mn1 O22 91.98(13) . 2_666
N21 Mn1 O22 94.39(15) . 2_666
O22 Mn1 O22 83.89(13) . 2_666
O1 Mn1 Mn2 31.38(9) . .
O11 Mn1 Mn2 158.24(9) . .
N21 Mn1 Mn2 116.38(12) . .
O22 Mn1 Mn2 65.22(10) . .
O22 Mn1 Mn2 96.62(8) 2_666 .
O1 Mn2 O12 167.26(14) . .
O1 Mn2 O23 94.05(14) . .
O12 Mn2 O23 94.71(14) . .
O1 Mn2 N22 87.74(14) . .
O12 Mn2 N22 81.11(14) . .
O23 Mn2 N22 162.16(17) . .
O1 Mn2 O24 91.24(14) . .
O12 Mn2 O24 97.37(15) . .
O23 Mn2 O24 93.87(19) . .
N22 Mn2 O24 103.84(19) . .
O1 Mn2 Mn3 32.09(9) . .
O12 Mn2 Mn3 159.76(10) . .
O23 Mn2 Mn3 66.32(10) . .
N22 Mn2 Mn3 119.12(11) . .
O24 Mn2 Mn3 77.86(12) . .
O1 Mn2 Mn1 31.46(9) . .
O12 Mn2 Mn1 138.87(11) . .
O23 Mn2 Mn1 125.51(10) . .
N22 Mn2 Mn1 58.01(11) . .
O24 Mn2 Mn1 88.89(12) . .
Mn3 Mn2 Mn1 61.21(5) . .
O13 Mn3 O1 167.98(14) . .
O13 Mn3 O21 97.55(14) . .
O1 Mn3 O21 94.11(14) . .
O13 Mn3 N23 81.57(16) . .
O1 Mn3 N23 87.03(15) . .
O21 Mn3 N23 175.53(19) . .
O13 Mn3 O14 91.39(19) . .
O1 Mn3 O14 92.00(16) . .
O21 Mn3 O14 87.69(16) . .
N23 Mn3 O14 87.96(19) . .
O13 Mn3 O2M 86.53(17) . .
O1 Mn3 O2M 90.81(14) . .
O21 Mn3 O2M 88.77(15) . .
N23 Mn3 O2M 95.54(17) . .
O14 Mn3 O2M 175.62(14) . .
O13 Mn3 Mn2 138.39(11) . .
O1 Mn3 Mn2 31.86(9) . .
O21 Mn3 Mn2 122.05(11) . .
N23 Mn3 Mn2 57.93(13) . .
O14 Mn3 Mn2 79.01(12) . .
O2M Mn3 Mn2 105.07(9) . .
Mn2 O1 Mn1 117.16(15) . .
Mn2 O1 Mn3 116.04(16) . .
Mn1 O1 Mn3 119.63(15) . .
C71 O11 Mn1 116.7(2) . .
N21 O21 Mn3 112.5(2) . .
C81 N11 H11A 120.2 . .
C81 N11 H11B 122.6 . .
H11A N11 H11B 116.7 . .
C81 N21 O21 117.9(3) . .
C81 N21 Mn1 116.7(3) . .
O21 N21 Mn1 124.9(3) . .
C21 C11 C61 119.4(5) . .
C21 C11 C71 121.1(4) . .
C61 C11 C71 119.4(5) . .
C11 C21 C31 120.3(6) . .
C11 C21 H21 119.9 . .
C31 C21 H21 119.9 . .
C21 C31 C41 119.5(6) . .
C21 C31 H31 120.3 . .
C41 C31 H31 120.3 . .
C51 C41 C31 120.2(6) . .
C51 C41 H41 119.9 . .
C31 C41 H41 119.9 . .
C41 C51 C61 120.7(6) . .
C41 C51 H51 119.7 . .
C61 C51 H51 119.7 . .
C11 C61 C51 119.9(6) . .
C11 C61 H61 120.1 . .
C51 C61 H61 120.1 . .
O11 C71 C11 112.6(4) . .
O11 C71 C81 109.1(3) . .
C11 C71 C81 109.4(4) . .
O11 C71 H71 108.6 . .
C11 C71 H71 108.6 . .
C81 C71 H71 108.6 . .
N21 C81 N11 124.6(4) . .
N21 C81 C71 114.4(4) . .
N11 C81 C71 121.0(4) . .
C72 O12 Mn2 118.1(3) . .
N22 O22 Mn1 108.1(2) . .
N22 O22 Mn1 110.6(2) . 2_666
Mn1 O22 Mn1 96.11(13) . 2_666
C82 N12 H12A 136.0 . .
C82 N12 H12B 124.7 . .
H12A N12 H12B 97.0 . .
C82 N22 O22 116.7(4) . .
C82 N22 Mn2 118.4(3) . .
O22 N22 Mn2 124.3(2) . .
C62 C12 C22 118.7(6) . .
C62 C12 C72 121.8(5) . .
C22 C12 C72 119.4(5) . .
C12 C22 C32 120.4(7) . .
C12 C22 H22 119.8 . .
C32 C22 H22 119.8 . .
C42 C32 C22 118.8(8) . .
C42 C32 H32 120.6 . .
C22 C32 H32 120.6 . .
C52 C42 C32 120.8(7) . .
C52 C42 H42 119.6 . .
C32 C42 H42 119.6 . .
C42 C52 C62 120.0(7) . .
C42 C52 H52 120.0 . .
C62 C52 H52 120.0 . .
C12 C62 C52 121.2(7) . .
C12 C62 H62 119.4 . .
C52 C62 H62 119.4 . .
O12 C72 C12 113.3(4) . .
O12 C72 C82 109.0(3) . .
C12 C72 C82 111.2(4) . .
O12 C72 H72 107.7 . .
C12 C72 H72 107.7 . .
C82 C72 H72 107.7 . .
N22 C82 N12 124.6(4) . .
N22 C82 C72 112.4(4) . .
N12 C82 C72 122.9(4) . .
C73 O13 Mn3 118.3(3) . .
N23 O23 Mn2 109.0(3) . .
C83 N13 H13A 119.6 . .
C83 N13 H13B 111.4 . .
H13A N13 H13B 128.8 . .
C83 N23 O23 117.1(4) . .
C83 N23 Mn3 117.1(3) . .
O23 N23 Mn3 125.6(3) . .
C23 C13 C63 122.2(6) . .
C23 C13 C73 120.1(5) . .
C63 C13 C73 117.5(6) . .
C13 C23 C33 117.2(7) . .
C13 C23 H23 121.4 . .
C33 C23 H23 121.4 . .
C23 C33 C43 124.6(8) . .
C23 C33 H33 117.7 . .
C43 C33 H33 117.7 . .
C33 C43 C53 119.1(6) . .
C33 C43 H43 120.5 . .
C53 C43 H43 120.5 . .
C43 C53 C63 118.4(7) . .
C43 C53 H53 120.8 . .
C63 C53 H53 120.8 . .
C13 C63 C53 118.4(6) . .
C13 C63 H63 120.8 . .
C53 C63 H63 120.8 . .
O13 C73 C83 107.8(4) . .
O13 C73 C13 110.0(4) . .
C83 C73 C13 110.6(4) . .
O13 C73 H73 109.4 . .
C83 C73 H73 109.4 . .
C13 C73 H73 109.4 . .
N23 C83 N13 123.3(5) . .
N23 C83 C73 114.5(4) . .
N13 C83 C73 122.1(5) . .
C14 O14 Mn3 120.6(4) . .
C14 O24 Mn2 126.1(5) . .
O14 C14 O24 125.9(6) . .
O14 C14 C24 114.9(8) . .
O24 C14 C24 118.1(8) . .
H24A C241 H24B 109.5 . .
H24A C241 H24C 109.5 . .
H24B C241 H24C 109.5 . .
C1M O1M H1M 109.5 . .
O1M C1M H1M1 109.5 . .
O1M C1M H1M2 109.5 . .
H1M1 C1M H1M2 109.5 . .
O1M C1M H1M3 109.5 . .
H1M1 C1M H1M3 109.5 . .
H1M2 C1M H1M3 109.5 . .
C2M O2M Mn3 122.3(4) . .
C2M O2M H2M 106.3 . .
Mn3 O2M H2M 110.4 . .
O2M C2M H2M1 109.5 . .
O2M C2M H2M2 109.5 . .
H2M1 C2M H2M2 109.5 . .
O2M C2M H2M3 109.5 . .
H2M1 C2M H2M3 109.5 . .
H2M2 C2M H2M3 109.5 . .
C3M O3M H3M 109.5 . .
O3M C3M H3M1 109.5 . .
O3M C3M H3M2 109.5 . .
H3M1 C3M H3M2 109.5 . .
O3M C3M H3M3 109.5 . .
H3M1 C3M H3M3 109.5 . .
H3M2 C3M H3M3 109.5 . .
C4M O4M C4MA 55.6(9) . .
C4M O4M H4M 109.8 . .
C4MA O4M H4M 105.0 . .
O4M C4M H4M1 109.5 . .
O4M C4M H4M2 109.5 . .
O4M C4M H4M3 109.5 . .
O4M C4MA H4M4 109.5 . .
O4M C4MA H4M5 109.5 . .
H4M4 C4MA H4M5 109.5 . .
O4M C4MA H4M6 109.5 . .
H4M4 C4MA H4M6 109.5 . .
H4M5 C4MA H4M6 109.5 . .
C5M O5M H5M 109.1 . .
O5M C5M H5M1 109.5 . .
O5M C5M H5M2 109.5 . .
H5M1 C5M H5M2 109.5 . .
O5M C5M H5M3 109.5 . .
H5M1 C5M H5M3 109.5 . .
H5M2 C5M H5M3 109.5 . .
C6M O6M H6M 109.5 . .
O6M C6M H6M1 109.5 . .
O6M C6M H6M2 109.5 . .
H6M1 C6M H6M2 109.5 . .
O6M C6M H6M3 109.5 . .
H6M1 C6M H6M3 109.5 . .
H6M2 C6M H6M3 109.5 . .
C7M O7M H7M 109.5 . .
O7M C7M H7M1 109.5 . .
O7M C7M H7M2 109.5 . .
H7M1 C7M H7M2 109.5 . .
O7M C7M H7M3 109.5 . .
H7M1 C7M H7M3 109.5 . .
H7M2 C7M H7M3 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mn1 O1 1.886(3) .
Mn1 O11 1.891(3) .
Mn1 N21 1.952(3) .
Mn1 O22 1.958(3) .
Mn1 O22 2.383(3) 2_666
Mn1 Mn2 3.2145(18) .
Mn2 O1 1.881(3) .
Mn2 O12 1.886(3) .
Mn2 O23 1.927(4) .
Mn2 N22 1.960(4) .
Mn2 O24 2.177(4) .
Mn2 Mn3 3.2019(15) .
Mn3 O13 1.885(4) .
Mn3 O1 1.894(3) .
Mn3 O21 1.947(3) .
Mn3 N23 1.963(4) .
Mn3 O14 2.274(5) .
Mn3 O2M 2.321(4) .
O11 C71 1.433(5) .
O21 N21 1.400(5) .
N11 C81 1.330(5) .
N11 H11A 0.8800 .
N11 H11B 0.8800 .
N21 C81 1.302(6) .
C11 C21 1.374(8) .
C11 C61 1.391(7) .
C11 C71 1.513(7) .
C21 C31 1.387(8) .
C21 H21 0.9500 .
C31 C41 1.409(10) .
C31 H31 0.9500 .
C41 C51 1.332(9) .
C41 H41 0.9500 .
C51 C61 1.401(8) .
C51 H51 0.9500 .
C61 H61 0.9500 .
C71 C81 1.525(6) .
C71 H71 1.0000 .
O12 C72 1.425(5) .
O22 N22 1.400(4) .
O22 Mn1 2.383(3) 2_666
N12 C82 1.325(6) .
N12 H12A 0.8800 .
N12 H12B 0.8800 .
N22 C82 1.316(5) .
C12 C62 1.374(8) .
C12 C22 1.383(8) .
C12 C72 1.506(7) .
C22 C32 1.410(9) .
C22 H22 0.9500 .
C32 C42 1.387(11) .
C32 H32 0.9500 .
C42 C52 1.350(12) .
C42 H42 0.9500 .
C52 C62 1.392(10) .
C52 H52 0.9500 .
C62 H62 0.9500 .
C72 C82 1.525(6) .
C72 H72 1.0000 .
O13 C73 1.434(6) .
O23 N23 1.399(5) .
N13 C83 1.344(7) .
N13 H13A 0.8800 .
N13 H13B 0.8800 .
N23 C83 1.307(6) .
C13 C23 1.346(9) .
C13 C63 1.409(8) .
C13 C73 1.552(7) .
C23 C33 1.358(8) .
C23 H23 0.9500 .
C33 C43 1.364(10) .
C33 H33 0.9500 .
C43 C53 1.377(10) .
C43 H43 0.9500 .
C53 C63 1.423(8) .
C53 H53 0.9500 .
C63 H63 0.9500 .
C73 C83 1.527(7) .
C73 H73 1.0000 .
O14 C14 1.283(8) .
O24 C14 1.315(8) .
C14 C24 1.578(17) .
C24 H24D 0.9800 .
C24 H24E 0.9800 .
C24 H24F 0.9800 .
C241 H24A 0.9800 .
C241 H24B 0.9800 .
C241 H24C 0.9800 .
O1M C1M 1.397(8) .
O1M H1M 0.8400 .
C1M H1M1 0.9800 .
C1M H1M2 0.9800 .
C1M H1M3 0.9800 .
O2M C2M 1.448(6) .
O2M H2M 0.8400 .
C2M H2M1 0.9800 .
C2M H2M2 0.9800 .
C2M H2M3 0.9800 .
O3M C3M 1.370(7) .
O3M H3M 0.8400 .
C3M H3M1 0.9800 .
C3M H3M2 0.9800 .
C3M H3M3 0.9800 .
O4M C4M 1.306(12) .
O4M C4MA 1.454(19) .
O4M H4M 0.8400 .
C4M H4M1 0.9800 .
C4M H4M2 0.9800 .
C4M H4M3 0.9800 .
C4MA H4M4 0.9800 .
C4MA H4M5 0.9800 .
C4MA H4M6 0.9800 .
O5M C5M 1.479(13) .
O5M H5M 0.8400 .
C5M H5M1 0.9800 .
C5M H5M2 0.9800 .
C5M H5M3 0.9800 .
O6M C6M 1.348(9) .
O6M H6M 0.8400 .
C6M H6M1 0.9800 .
C6M H6M2 0.9800 .
C6M H6M3 0.9800 .
O7M C7M 1.440(8) .
O7M H7M 0.8400 .
C7M H7M1 0.9800 .
C7M H7M2 0.9800 .
C7M H7M3 0.9800 .
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
N11 H11A O21 0.88 2.07 2.808(5) 140.7 2_566
N11 H11B O13 0.88 2.01 2.751(5) 141.2 2_566
N12 H12B O2M 0.88 2.11 2.974(6) 168.6 2_666
N12 H12A O6M 0.88 2.07 2.873(5) 150.4 .
N13 H13B O7M 0.88 2.27 3.066(7) 149.7 .
N13 H13A O5M 0.88 2.15 2.938(7) 148.7 .
O1M H1M O24 0.84 1.94 2.752(6) 162.3 .
O2M H2M O3M 0.84 1.78 2.619(5) 178.0 2_666
O3M H3M O11 0.84 1.86 2.697(5) 175.4 .
O4M H4M O12 0.84 1.91 2.733(5) 167.3 .
O5M H5M O7M 0.84 1.93 2.760(7) 170.1 2
O6M H6M O14 0.84 2.11 2.877(6) 152.5 1_655
O6M H6M O21 0.84 2.60 3.213(6) 130.7 1_655
O7M H7M O4M 0.84 1.82 2.664(7) 178.2 .
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
O11 Mn1 Mn2 O1 -179.8(3) . .
N21 Mn1 Mn2 O1 -30.7(2) . .
O22 Mn1 Mn2 O1 147.7(2) . .
O22 Mn1 Mn2 O1 67.57(19) 2_666 .
O1 Mn1 Mn2 O12 -165.8(2) . .
O11 Mn1 Mn2 O12 14.3(3) . .
N21 Mn1 Mn2 O12 163.5(2) . .
O22 Mn1 Mn2 O12 -18.2(2) . .
O22 Mn1 Mn2 O12 -98.28(19) 2_666 .
O1 Mn1 Mn2 O23 0.2(2) . .
O11 Mn1 Mn2 O23 -179.6(3) . .
N21 Mn1 Mn2 O23 -30.5(2) . .
O22 Mn1 Mn2 O23 147.91(18) . .
O22 Mn1 Mn2 O23 67.79(17) 2_666 .
O1 Mn1 Mn2 N22 -158.7(2) . .
O11 Mn1 Mn2 N22 21.5(3) . .
N21 Mn1 Mn2 N22 170.61(19) . .
O22 Mn1 Mn2 N22 -11.02(17) . .
O22 Mn1 Mn2 N22 -91.14(15) 2_666 .
O1 Mn1 Mn2 O24 94.2(2) . .
O11 Mn1 Mn2 O24 -85.6(3) . .
N21 Mn1 Mn2 O24 63.50(19) . .
O22 Mn1 Mn2 O24 -118.12(17) . .
O22 Mn1 Mn2 O24 161.76(15) 2_666 .
O1 Mn1 Mn2 Mn3 17.45(18) . .
O11 Mn1 Mn2 Mn3 -162.4(3) . .
N21 Mn1 Mn2 Mn3 -13.24(14) . .
O22 Mn1 Mn2 Mn3 165.13(11) . .
O22 Mn1 Mn2 Mn3 85.01(8) 2_666 .
O1 Mn2 Mn3 O13 -168.1(3) . .
O12 Mn2 Mn3 O13 1.0(4) . .
O23 Mn2 Mn3 O13 -20.5(2) . .
N22 Mn2 Mn3 O13 178.5(2) . .
O24 Mn2 Mn3 O13 79.3(2) . .
Mn1 Mn2 Mn3 O13 174.7(2) . .
O12 Mn2 Mn3 O1 169.1(4) . .
O23 Mn2 Mn3 O1 147.6(2) . .
N22 Mn2 Mn3 O1 -13.4(2) . .
O24 Mn2 Mn3 O1 -112.6(2) . .
Mn1 Mn2 Mn3 O1 -17.13(18) . .
O1 Mn2 Mn3 O21 32.1(2) . .
O12 Mn2 Mn3 O21 -158.8(3) . .
O23 Mn2 Mn3 O21 179.71(19) . .
N22 Mn2 Mn3 O21 18.70(19) . .
O24 Mn2 Mn3 O21 -80.5(2) . .
Mn1 Mn2 Mn3 O21 14.97(14) . .
O1 Mn2 Mn3 N23 -153.2(3) . .
O12 Mn2 Mn3 N23 16.0(4) . .
O23 Mn2 Mn3 N23 -5.6(2) . .
N22 Mn2 Mn3 N23 -166.6(2) . .
O24 Mn2 Mn3 N23 94.2(2) . .
Mn1 Mn2 Mn3 N23 -170.30(17) . .
O1 Mn2 Mn3 O14 112.3(2) . .
O12 Mn2 Mn3 O14 -78.6(4) . .
O23 Mn2 Mn3 O14 -100.08(18) . .
N22 Mn2 Mn3 O14 98.91(18) . .
O24 Mn2 Mn3 O14 -0.31(18) . .
Mn1 Mn2 Mn3 O14 95.18(13) . .
O1 Mn2 Mn3 O2M -66.1(2) . .
O12 Mn2 Mn3 O2M 103.1(3) . .
O23 Mn2 Mn3 O2M 81.53(16) . .
N22 Mn2 Mn3 O2M -79.47(17) . .
O24 Mn2 Mn3 O2M -178.70(16) . .
Mn1 Mn2 Mn3 O2M -83.21(10) . .
O12 Mn2 O1 Mn1 46.8(7) . .
O23 Mn2 O1 Mn1 -179.82(18) . .
N22 Mn2 O1 Mn1 17.95(19) . .
O24 Mn2 O1 Mn1 -85.8(2) . .
Mn3 Mn2 O1 Mn1 -150.4(3) . .
O12 Mn2 O1 Mn3 -162.8(6) . .
O23 Mn2 O1 Mn3 -29.5(2) . .
N22 Mn2 O1 Mn3 168.32(19) . .
O24 Mn2 O1 Mn3 64.5(2) . .
Mn1 Mn2 O1 Mn3 150.4(3) . .
N21 Mn1 O1 Mn2 152.8(2) . .
O22 Mn1 O1 Mn2 -29.06(19) . .
O22 Mn1 O1 Mn2 -112.68(17) 2_666 .
N21 Mn1 O1 Mn3 3.5(2) . .
O22 Mn1 O1 Mn3 -178.32(18) . .
O22 Mn1 O1 Mn3 98.06(18) 2_666 .
Mn2 Mn1 O1 Mn3 -149.3(3) . .
O13 Mn3 O1 Mn2 41.0(9) . .
O21 Mn3 O1 Mn2 -153.16(19) . .
N23 Mn3 O1 Mn2 22.5(2) . .
O14 Mn3 O1 Mn2 -65.3(2) . .
O2M Mn3 O1 Mn2 118.02(18) . .
O13 Mn3 O1 Mn1 -169.5(7) . .
O21 Mn3 O1 Mn1 -3.6(2) . .
N23 Mn3 O1 Mn1 172.1(2) . .
O14 Mn3 O1 Mn1 84.3(2) . .
O2M Mn3 O1 Mn1 -92.39(19) . .
Mn2 Mn3 O1 Mn1 149.6(3) . .
N21 Mn1 O11 C71 3.8(3) . .
O22 Mn1 O11 C71 -174.4(3) . .
O22 Mn1 O11 C71 -90.4(3) 2_666 .
Mn2 Mn1 O11 C71 156.2(2) . .
O13 Mn3 O21 N21 178.8(3) . .
O1 Mn3 O21 N21 1.8(3) . .
O14 Mn3 O21 N21 -90.1(3) . .
O2M Mn3 O21 N21 92.5(3) . .
Mn2 Mn3 O21 N21 -14.6(3) . .
Mn3 O21 N21 C81 -171.4(3) . .
O1 Mn1 N21 C81 169.6(4) . .
O22 Mn1 N21 C81 85.3(4) 2_666 .
Mn2 Mn1 N21 C81 -175.0(3) . .
O1 Mn1 N21 O21 -2.3(4) . .
O11 Mn1 N21 O21 -178.0(4) . .
O22 Mn1 N21 O21 -86.6(4) 2_666 .
Mn2 Mn1 N21 O21 13.1(4) . .
C61 C11 C21 C31 -0.6(9) . .
C71 C11 C21 C31 176.8(5) . .
C11 C21 C31 C41 -0.5(10) . .
C21 C31 C41 C51 1.1(11) . .
C31 C41 C51 C61 -0.7(11) . .
C21 C11 C61 C51 1.1(8) . .
C71 C11 C61 C51 -176.4(5) . .
C41 C51 C61 C11 -0.4(9) . .
Mn1 O11 C71 C11 -123.0(3) . .
Mn1 O11 C71 C81 -1.4(5) . .
C21 C11 C71 O11 45.1(6) . .
C61 C11 C71 O11 -137.4(4) . .
C21 C11 C71 C81 -76.3(6) . .
C61 C11 C71 C81 101.1(5) . .
O21 N21 C81 N11 0.0(7) . .
Mn1 N21 C81 N11 -172.5(4) . .
O21 N21 C81 C71 179.3(4) . .
Mn1 N21 C81 C71 6.8(5) . .
O11 C71 C81 N21 -3.5(6) . .
C11 C71 C81 N21 120.0(4) . .
O11 C71 C81 N11 175.8(4) . .
C11 C71 C81 N11 -60.7(6) . .
O1 Mn2 O12 C72 -37.1(8) . .
O23 Mn2 O12 C72 -170.4(3) . .
N22 Mn2 O12 C72 -7.8(3) . .
O24 Mn2 O12 C72 95.1(3) . .
Mn3 Mn2 O12 C72 169.9(3) . .
Mn1 Mn2 O12 C72 -1.7(4) . .
O1 Mn1 O22 N22 30.0(3) . .
O11 Mn1 O22 N22 -154.6(3) . .
O22 Mn1 O22 N22 114.0(3) 2_666 .
Mn2 Mn1 O22 N22 13.8(2) . .
O1 Mn1 O22 Mn1 -84.03(13) . 2_666
O11 Mn1 O22 Mn1 91.35(13) . 2_666
O22 Mn1 O22 Mn1 -0.002(2) 2_666 2_666
Mn2 Mn1 O22 Mn1 -100.21(11) . 2_666
Mn1 O22 N22 C82 163.5(3) . .
Mn1 O22 N22 C82 -92.4(4) 2_666 .
Mn1 O22 N22 Mn2 -25.5(4) . .
Mn1 O22 N22 Mn2 78.6(3) 2_666 .
O1 Mn2 N22 C82 177.0(4) . .
O12 Mn2 N22 C82 3.2(3) . .
O23 Mn2 N22 C82 80.7(6) . .
O24 Mn2 N22 C82 -92.3(4) . .
Mn3 Mn2 N22 C82 -176.0(3) . .
Mn1 Mn2 N22 C82 -172.1(4) . .
O1 Mn2 N22 O22 6.1(3) . .
O12 Mn2 N22 O22 -167.7(3) . .
O23 Mn2 N22 O22 -90.1(5) . .
O24 Mn2 N22 O22 96.9(3) . .
Mn3 Mn2 N22 O22 13.2(4) . .
Mn1 Mn2 N22 O22 17.1(3) . .
C62 C12 C22 C32 2.3(8) . .
C72 C12 C22 C32 -178.5(5) . .
C12 C22 C32 C42 -0.9(9) . .
C22 C32 C42 C52 -1.3(10) . .
C32 C42 C52 C62 1.9(11) . .
C22 C12 C62 C52 -1.7(8) . .
C72 C12 C62 C52 179.2(5) . .
C42 C52 C62 C12 -0.4(10) . .
Mn2 O12 C72 C12 -114.0(4) . .
Mn2 O12 C72 C82 10.4(5) . .
C62 C12 C72 O12 -141.5(5) . .
C22 C12 C72 O12 39.4(6) . .
C62 C12 C72 C82 95.3(6) . .
C22 C12 C72 C82 -83.9(6) . .
O22 N22 C82 N12 -4.3(7) . .
Mn2 N22 C82 N12 -175.9(4) . .
O22 N22 C82 C72 173.3(4) . .
Mn2 N22 C82 C72 1.7(5) . .
O12 C72 C82 N22 -7.4(6) . .
C12 C72 C82 N22 118.2(5) . .
O12 C72 C82 N12 170.2(4) . .
C12 C72 C82 N12 -64.1(6) . .
O1 Mn3 O13 C73 -10.9(10) . .
O21 Mn3 O13 C73 -176.7(4) . .
N23 Mn3 O13 C73 7.7(4) . .
O14 Mn3 O13 C73 95.5(4) . .
O2M Mn3 O13 C73 -88.4(4) . .
Mn2 Mn3 O13 C73 20.5(5) . .
O1 Mn2 O23 N23 23.6(3) . .
O12 Mn2 O23 N23 -165.7(3) . .
N22 Mn2 O23 N23 118.8(5) . .
O24 Mn2 O23 N23 -67.9(3) . .
Mn3 Mn2 O23 N23 7.0(3) . .
Mn1 Mn2 O23 N23 23.5(4) . .
Mn2 O23 N23 C83 171.9(4) . .
Mn2 O23 N23 Mn3 -12.9(5) . .
O13 Mn3 N23 C83 -6.2(4) . .
O1 Mn3 N23 C83 170.0(4) . .
O14 Mn3 N23 C83 -97.9(4) . .
O2M Mn3 N23 C83 79.5(4) . .
Mn2 Mn3 N23 C83 -176.2(5) . .
O13 Mn3 N23 O23 178.7(5) . .
O1 Mn3 N23 O23 -5.2(4) . .
O14 Mn3 N23 O23 87.0(4) . .
O2M Mn3 N23 O23 -95.7(4) . .
Mn2 Mn3 N23 O23 8.6(3) . .
C63 C13 C23 C33 1.1(9) . .
C73 C13 C23 C33 -174.5(5) . .
C13 C23 C33 C43 1.3(11) . .
C23 C33 C43 C53 -2.5(12) . .
C33 C43 C53 C63 1.3(11) . .
C23 C13 C63 C53 -2.2(9) . .
C73 C13 C63 C53 173.5(5) . .
C43 C53 C63 C13 0.9(10) . .
Mn3 O13 C73 C83 -7.7(6) . .
Mn3 O13 C73 C13 -128.4(4) . .
C23 C13 C73 O13 24.1(7) . .
C63 C13 C73 O13 -151.7(5) . .
C23 C13 C73 C83 -94.9(6) . .
C63 C13 C73 C83 89.2(6) . .
O23 N23 C83 N13 -3.0(9) . .
Mn3 N23 C83 N13 -178.6(5) . .
O23 N23 C83 C73 179.0(4) . .
Mn3 N23 C83 C73 3.4(7) . .
O13 C73 C83 N23 2.5(7) . .
C13 C73 C83 N23 122.8(5) . .
O13 C73 C83 N13 -175.5(5) . .
C13 C73 C83 N13 -55.1(8) . .
O13 Mn3 O14 C14 -121.6(5) . .
O1 Mn3 O14 C14 46.9(5) . .
O21 Mn3 O14 C14 140.9(5) . .
N23 Mn3 O14 C14 -40.1(5) . .
Mn2 Mn3 O14 C14 17.6(5) . .
O1 Mn2 O24 C14 -46.9(6) . .
O12 Mn2 O24 C14 142.5(6) . .
O23 Mn2 O24 C14 47.3(6) . .
N22 Mn2 O24 C14 -134.9(6) . .
Mn3 Mn2 O24 C14 -17.5(5) . .
Mn1 Mn2 O24 C14 -78.3(6) . .
Mn3 O14 C14 O24 -39.7(10) . .
Mn3 O14 C14 C24 127.6(12) . .
Mn2 O24 C14 O14 41.2(11) . .
Mn2 O24 C14 C24 -125.8(12) . .
O13 Mn3 O2M C2M -5.6(4) . .
O1 Mn3 O2M C2M -173.8(4) . .
O21 Mn3 O2M C2M 92.1(4) . .
N23 Mn3 O2M C2M -86.7(4) . .
Mn2 Mn3 O2M C2M -145.0(4) . .
