# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2014

#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_130819a

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C76 H60 Mn8 N30 O20'
_chemical_formula_weight         2153.06

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'
O O 0.0106 0.0060 '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'
Mn Mn 0.3368 0.7283 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   C2/c

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'

_cell_length_a                   37.600(3)
_cell_length_b                   18.2991(17)
_cell_length_c                   14.1600(12)
_cell_angle_alpha                90.00
_cell_angle_beta                 101.491(2)
_cell_angle_gamma                90.00
_cell_volume                     9547.5(14)
_cell_formula_units_Z            4
_cell_measurement_temperature    298(2)
_cell_measurement_reflns_used    2600
_cell_measurement_theta_min      2.668
_cell_measurement_theta_max      26.888

_exptl_crystal_description       block
_exptl_crystal_colour            black
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.11
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.498
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             4344
_exptl_absorpt_coefficient_mu    1.102
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.8700
_exptl_absorpt_correction_T_max  0.8884
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      298(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            22432
_diffrn_reflns_av_R_equivalents  0.1154
_diffrn_reflns_av_unetI/netI     0.2041
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_h_max       44
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         2.67
_diffrn_reflns_theta_max         25.02
_reflns_number_total             8418
_reflns_number_gt                3834
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
;
calc w=1/[σ²(Fo²)+(0.0489P)²+0.0000P] where P=(Fo²+2Fc²)/3
;
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         8418
_refine_ls_number_parameters     605
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1605
_refine_ls_R_factor_gt           0.0820
_refine_ls_wR_factor_ref         0.2025
_refine_ls_wR_factor_gt          0.1798
_refine_ls_goodness_of_fit_ref   1.000
_refine_ls_restrained_S_all      1.000
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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 0.07104(3) 0.18638(6) 0.69866(8) 0.0321(3) Uani 1 1 d . . .
Mn2 Mn 0.14909(3) 0.21310(7) 0.71365(9) 0.0389(4) Uani 1 1 d . . .
Mn3 Mn 0.02000(3) 0.23902(6) 0.87030(9) 0.0330(3) Uani 1 1 d . . .
Mn4 Mn 0.10850(3) 0.29800(6) 0.88722(9) 0.0331(3) Uani 1 1 d . . .
N1 N 0.03473(19) 0.1078(3) 0.6606(5) 0.0341(16) Uani 1 1 d . . .
N2 N -0.00221(17) 0.1180(3) 0.6347(4) 0.0304(16) Uani 1 1 d . . .
N3 N 0.0106(2) -0.0014(3) 0.6311(5) 0.0404(18) Uani 1 1 d . . .
N4 N -0.0796(2) 0.0801(4) 0.5846(5) 0.0457(19) Uani 1 1 d . . .
N5 N -0.0968(3) -0.0644(4) 0.5441(6) 0.065(2) Uani 1 1 d . . .
N6 N 0.17015(19) 0.2020(4) 0.8520(5) 0.0437(18) Uani 1 1 d . . .
N7 N 0.15325(18) 0.2328(4) 0.9190(5) 0.0392(17) Uani 1 1 d . . .
N8 N 0.20714(17) 0.1923(4) 0.9956(5) 0.0409(18) Uani 1 1 d . . .
N9 N 0.13642(19) 0.3029(4) 1.0637(5) 0.0409(18) Uani 1 1 d . . .
N10 N 0.1722(3) 0.2840(5) 1.2523(5) 0.064(2) Uani 1 1 d . . .
N11 N 0.07050(18) 0.3731(3) 0.8905(5) 0.0354(17) Uani 1 1 d . . .
N12 N 0.03419(17) 0.3616(3) 0.8769(4) 0.0318(16) Uani 1 1 d . . .
N13 N 0.04425(18) 0.4820(3) 0.8906(5) 0.0360(17) Uani 1 1 d . . .
N14 N -0.04361(19) 0.3899(4) 0.8480(5) 0.0402(18) Uani 1 1 d . . .
N15 N -0.0647(2) 0.5346(5) 0.8619(6) 0.068(2) Uani 1 1 d . . .
O1 O 0.10880(15) 0.1164(3) 0.7114(4) 0.0427(15) Uani 1 1 d . . .
O2 O 0.19087(17) 0.1652(3) 0.6928(4) 0.0541(17) Uani 1 1 d . . .
O3 O 0.13874(14) 0.3733(3) 0.8600(4) 0.0392(14) Uani 1 1 d . . .
O4 O 0.07146(15) 0.2144(3) 0.5533(4) 0.0421(15) Uani 1 1 d . . .
O5 O 0.13210(16) 0.2219(3) 0.5727(4) 0.0433(15) Uani 1 1 d . . .
O6 O 0.10729(14) 0.2521(3) 0.7465(4) 0.0354(13) Uani 1 1 d . . .
O7 O 0.03293(13) 0.2496(3) 0.7144(4) 0.0325(13) Uani 1 1 d . . .
H7A H 0.0400 0.2931 0.7080 0.039 Uiso 1 1 d R . .
O8 O 0.17223(16) 0.3257(3) 0.7141(4) 0.0559(17) Uani 1 1 d . . .
H8B H 0.1795 0.3253 0.7749 0.067 Uiso 1 1 d R . .
H8C H 0.1516 0.3453 0.7128 0.067 Uiso 1 1 d R . .
O9 O 0.07601(14) 0.2282(3) 0.9133(4) 0.0447(15) Uani 1 1 d . . .
H9A H 0.0844 0.1901 0.9443 0.054 Uiso 1 1 d R . .
O10 O 0.00190(19) 0.2471(4) 1.0092(5) 0.074(2) Uani 1 1 d . . .
H10C H -0.0095 0.2067 1.0047 0.089 Uiso 1 1 d R . .
H10D H -0.0164 0.2741 0.9885 0.089 Uiso 1 1 d R . .
C1 C 0.1087(2) 0.0426(4) 0.7003(6) 0.038(2) Uani 1 1 d . . .
C2 C 0.0767(2) 0.0030(5) 0.6762(6) 0.041(2) Uani 1 1 d . . .
C3 C 0.0796(3) -0.0734(5) 0.6659(7) 0.063(3) Uani 1 1 d . . .
H3 H 0.0586 -0.1011 0.6485 0.076 Uiso 1 1 calc R . .
C4 C 0.1115(3) -0.1064(5) 0.6802(8) 0.072(3) Uani 1 1 d . . .
H4 H 0.1124 -0.1568 0.6727 0.086 Uiso 1 1 calc R . .
C5 C 0.1438(3) -0.0671(6) 0.7066(8) 0.073(3) Uani 1 1 d . . .
H5 H 0.1660 -0.0911 0.7185 0.087 Uiso 1 1 calc R . .
C6 C 0.1421(3) 0.0076(5) 0.7146(7) 0.060(3) Uani 1 1 d . . .
H6 H 0.1633 0.0348 0.7296 0.072 Uiso 1 1 calc R . .
C7 C 0.0410(2) 0.0362(4) 0.6576(6) 0.037(2) Uani 1 1 d . . .
C8 C -0.0149(2) 0.0500(4) 0.6195(5) 0.036(2) Uani 1 1 d . . .
C9 C -0.0542(2) 0.0303(4) 0.5891(6) 0.038(2) Uani 1 1 d . . .
C10 C -0.0632(3) -0.0427(4) 0.5696(7) 0.048(2) Uani 1 1 d . . .
H10A H -0.0446 -0.0770 0.5749 0.058 Uiso 1 1 calc R . .
C11 C -0.1232(3) -0.0149(6) 0.5370(8) 0.070(3) Uani 1 1 d . . .
H11 H -0.1474 -0.0286 0.5176 0.084 Uiso 1 1 calc R . .
C12 C -0.1141(3) 0.0568(5) 0.5589(7) 0.057(3) Uani 1 1 d . . .
H12 H -0.1326 0.0908 0.5558 0.069 Uiso 1 1 calc R . .
C13 C 0.2187(3) 0.1361(5) 0.7501(7) 0.049(2) Uani 1 1 d . . .
C14 C 0.2273(2) 0.1425(4) 0.8515(6) 0.042(2) Uani 1 1 d . . .
C15 C 0.2593(3) 0.1111(6) 0.9038(7) 0.065(3) Uani 1 1 d . . .
H15 H 0.2641 0.1146 0.9706 0.078 Uiso 1 1 calc R . .
C16 C 0.2833(3) 0.0759(6) 0.8600(9) 0.082(4) Uani 1 1 d . . .
H16 H 0.3049 0.0575 0.8961 0.098 Uiso 1 1 calc R . .
C17 C 0.2754(3) 0.0678(6) 0.7611(9) 0.082(4) Uani 1 1 d . . .
H17 H 0.2911 0.0417 0.7307 0.098 Uiso 1 1 calc R . .
C18 C 0.2444(3) 0.0982(5) 0.7073(8) 0.063(3) Uani 1 1 d . . .
H18 H 0.2401 0.0937 0.6405 0.075 Uiso 1 1 calc R . .
C19 C 0.2024(2) 0.1793(5) 0.9006(6) 0.039(2) Uani 1 1 d . . .
C20 C 0.1764(2) 0.2271(4) 1.0040(6) 0.041(2) Uani 1 1 d . . .
C21 C 0.1660(2) 0.2609(4) 1.0858(5) 0.0310(19) Uani 1 1 d . . .
C22 C 0.1829(3) 0.2519(5) 1.1798(7) 0.056(3) Uani 1 1 d . . .
H22 H 0.2031 0.2214 1.1932 0.067 Uiso 1 1 calc R . .
C23 C 0.1431(4) 0.3268(6) 1.2279(8) 0.072(3) Uani 1 1 d . . .
H23 H 0.1349 0.3518 1.2765 0.087 Uiso 1 1 calc R . .
C24 C 0.1251(3) 0.3358(5) 1.1360(7) 0.051(3) Uani 1 1 d . . .
H24 H 0.1045 0.3653 1.1233 0.061 Uiso 1 1 calc R . .
C25 C 0.1413(2) 0.4420(4) 0.8948(6) 0.035(2) Uani 1 1 d . . .
C26 C 0.1121(2) 0.4799(4) 0.9145(6) 0.0310(19) Uani 1 1 d . . .
C27 C 0.1157(3) 0.5526(5) 0.9485(6) 0.046(2) Uani 1 1 d . . .
H27 H 0.0955 0.5785 0.9583 0.055 Uiso 1 1 calc R . .
C28 C 0.1493(3) 0.5843(5) 0.9670(6) 0.051(3) Uani 1 1 d . . .
H28 H 0.1525 0.6307 0.9941 0.061 Uiso 1 1 calc R . .
C29 C 0.1786(2) 0.5471(5) 0.9452(6) 0.046(2) Uani 1 1 d . . .
H29 H 0.2013 0.5693 0.9548 0.055 Uiso 1 1 calc R . .
C30 C 0.1741(2) 0.4770(5) 0.9091(6) 0.046(2) Uani 1 1 d . . .
H30 H 0.1940 0.4527 0.8941 0.055 Uiso 1 1 calc R . .
C31 C 0.0760(2) 0.4463(4) 0.8971(5) 0.0285(18) Uani 1 1 d . . .
C32 C 0.0198(2) 0.4279(4) 0.8780(6) 0.034(2) Uani 1 1 d . . .
C33 C -0.0193(2) 0.4445(4) 0.8655(6) 0.0324(19) Uani 1 1 d . . .
C34 C -0.0306(3) 0.5159(5) 0.8727(7) 0.061(3) Uani 1 1 d . . .
H34 H -0.0131 0.5524 0.8858 0.074 Uiso 1 1 calc R . .
C35 C -0.0881(3) 0.4782(6) 0.8456(6) 0.055(3) Uani 1 1 d . . .
H35 H -0.1128 0.4883 0.8374 0.066 Uiso 1 1 calc R . .
C36 C -0.0778(2) 0.4079(5) 0.8405(6) 0.042(2) Uani 1 1 d . . .
H36 H -0.0954 0.3714 0.8314 0.051 Uiso 1 1 calc R . .
C37 C 0.1006(3) 0.2232(5) 0.5221(6) 0.042(2) Uani 1 1 d . . .
C38 C 0.0979(3) 0.2382(5) 0.4165(6) 0.058(3) Uani 1 1 d . . .
H38A H 0.0880 0.2862 0.4015 0.087 Uiso 1 1 calc R . .
H38B H 0.0823 0.2026 0.3794 0.087 Uiso 1 1 calc R . .
H38C H 0.1216 0.2355 0.4011 0.087 Uiso 1 1 calc R . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

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 O6 1.843(5) . ?
Mn1 O7 1.889(5) . ?
Mn1 O1 1.894(5) . ?
Mn1 N1 1.981(7) . ?
Mn1 O4 2.125(5) . ?
Mn1 Mn2 2.9408(17) . ?
Mn2 O6 1.868(5) . ?
Mn2 O2 1.873(6) . ?
Mn2 N6 1.972(7) . ?
Mn2 O5 1.977(6) . ?
Mn2 O8 2.236(6) . ?
Mn2 O1 2.326(6) . ?
Mn3 O9 2.082(5) . ?
Mn3 O7 2.118(5) 2_556 ?
Mn3 O10 2.210(7) . ?
Mn3 N12 2.303(6) . ?
Mn3 N2 2.311(6) 2_556 ?
Mn3 O7 2.361(5) . ?
Mn4 O9 1.854(5) . ?
Mn4 O3 1.875(6) . ?
Mn4 N11 1.990(6) . ?
Mn4 N7 2.038(7) . ?
Mn4 O6 2.154(5) . ?
Mn4 N9 2.511(6) . ?
N1 C7 1.334(9) . ?
N1 N2 1.377(9) . ?
N2 C8 1.333(9) . ?
N2 Mn3 2.311(6) 2_556 ?
N3 C7 1.322(10) . ?
N3 C8 1.329(10) . ?
N4 C9 1.311(10) . ?
N4 C12 1.344(10) . ?
N5 C10 1.307(11) . ?
N5 C11 1.333(12) . ?
N6 C19 1.335(10) . ?
N6 N7 1.364(8) . ?
N7 C20 1.341(10) . ?
N8 C19 1.341(10) . ?
N8 C20 1.346(10) . ?
N9 C24 1.329(10) . ?
N9 C21 1.338(9) . ?
N10 C22 1.313(11) . ?
N10 C23 1.335(12) . ?
N11 C31 1.356(9) . ?
N11 N12 1.357(8) . ?
N12 C32 1.331(9) . ?
N13 C32 1.339(9) . ?
N13 C31 1.349(9) . ?
N14 C36 1.312(10) . ?
N14 C33 1.342(9) . ?
N15 C34 1.307(11) . ?
N15 C35 1.346(11) . ?
O1 C1 1.358(9) . ?
O2 C13 1.303(10) . ?
O3 C25 1.348(9) . ?
O4 C37 1.270(10) . ?
O5 C37 1.257(10) . ?
O7 Mn3 2.118(5) 2_556 ?
O7 H7A 0.8501 . ?
O8 H8B 0.8502 . ?
O8 H8C 0.8502 . ?
O9 H9A 0.8500 . ?
O10 H10C 0.8502 . ?
O10 H10D 0.8502 . ?
C1 C2 1.387(11) . ?
C1 C6 1.387(11) . ?
C2 C3 1.413(11) . ?
C2 C7 1.450(11) . ?
C3 C4 1.319(13) . ?
C3 H3 0.9300 . ?
C4 C5 1.396(14) . ?
C4 H4 0.9300 . ?
C5 C6 1.376(12) . ?
C5 H5 0.9300 . ?
C6 H6 0.9300 . ?
C8 C9 1.501(11) . ?
C9 C10 1.391(11) . ?
C10 H10A 0.9300 . ?
C11 C12 1.377(12) . ?
C11 H11 0.9300 . ?
C12 H12 0.9300 . ?
C13 C14 1.412(12) . ?
C13 C18 1.420(12) . ?
C14 C15 1.403(12) . ?
C14 C19 1.441(11) . ?
C15 C16 1.357(13) . ?
C15 H15 0.9300 . ?
C16 C17 1.381(14) . ?
C16 H16 0.9300 . ?
C17 C18 1.376(13) . ?
C17 H17 0.9300 . ?
C18 H18 0.9300 . ?
C20 C21 1.435(11) . ?
C21 C22 1.366(11) . ?
C22 H22 0.9300 . ?
C23 C24 1.352(13) . ?
C23 H23 0.9300 . ?
C24 H24 0.9300 . ?
C25 C30 1.369(11) . ?
C25 C26 1.371(11) . ?
C26 C27 1.411(11) . ?
C26 C31 1.466(10) . ?
C27 C28 1.369(12) . ?
C27 H27 0.9300 . ?
C28 C29 1.380(12) . ?
C28 H28 0.9300 . ?
C29 C30 1.379(11) . ?
C29 H29 0.9300 . ?
C30 H30 0.9300 . ?
C32 C33 1.475(11) . ?
C33 C34 1.386(11) . ?
C34 H34 0.9300 . ?
C35 C36 1.350(11) . ?
C35 H35 0.9300 . ?
C36 H36 0.9300 . ?
C37 C38 1.503(11) . ?
C38 H38A 0.9600 . ?
C38 H38B 0.9600 . ?
C38 H38C 0.9600 . ?

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
O6 Mn1 O7 94.6(2) . . ?
O6 Mn1 O1 85.5(2) . . ?
O7 Mn1 O1 167.1(2) . . ?
O6 Mn1 N1 173.0(2) . . ?
O7 Mn1 N1 88.7(2) . . ?
O1 Mn1 N1 89.9(2) . . ?
O6 Mn1 O4 92.9(2) . . ?
O7 Mn1 O4 96.8(2) . . ?
O1 Mn1 O4 96.0(2) . . ?
N1 Mn1 O4 92.8(2) . . ?
O6 Mn1 Mn2 37.87(16) . . ?
O7 Mn1 Mn2 131.25(16) . . ?
O1 Mn1 Mn2 52.22(17) . . ?
N1 Mn1 Mn2 139.80(19) . . ?
O4 Mn1 Mn2 80.21(15) . . ?
O6 Mn2 O2 172.8(2) . . ?
O6 Mn2 N6 89.0(3) . . ?
O2 Mn2 N6 85.7(3) . . ?
O6 Mn2 O5 95.8(2) . . ?
O2 Mn2 O5 89.5(3) . . ?
N6 Mn2 O5 175.1(3) . . ?
O6 Mn2 O8 89.6(2) . . ?
O2 Mn2 O8 95.4(2) . . ?
N6 Mn2 O8 90.7(3) . . ?
O5 Mn2 O8 88.6(2) . . ?
O6 Mn2 O1 73.5(2) . . ?
O2 Mn2 O1 101.9(2) . . ?
N6 Mn2 O1 93.8(2) . . ?
O5 Mn2 O1 88.2(2) . . ?
O8 Mn2 O1 162.4(2) . . ?
O6 Mn2 Mn1 37.28(15) . . ?
O2 Mn2 Mn1 140.1(2) . . ?
N6 Mn2 Mn1 104.6(2) . . ?
O5 Mn2 Mn1 79.83(17) . . ?
O8 Mn2 Mn1 122.39(16) . . ?
O1 Mn2 Mn1 40.06(14) . . ?
O9 Mn3 O7 162.9(2) . 2_556 ?
O9 Mn3 O10 102.7(2) . . ?
O7 Mn3 O10 94.4(2) 2_556 . ?
O9 Mn3 N12 82.4(2) . . ?
O7 Mn3 N12 96.8(2) 2_556 . ?
O10 Mn3 N12 90.5(2) . . ?
O9 Mn3 N2 100.8(2) . 2_556 ?
O7 Mn3 N2 80.6(2) 2_556 2_556 ?
O10 Mn3 N2 87.3(2) . 2_556 ?
N12 Mn3 N2 176.4(2) . 2_556 ?
O9 Mn3 O7 84.0(2) . . ?
O7 Mn3 O7 79.0(2) 2_556 . ?
O10 Mn3 O7 169.6(2) . . ?
N12 Mn3 O7 82.50(19) . . ?
N2 Mn3 O7 99.30(19) 2_556 . ?
O9 Mn4 O3 176.0(2) . . ?
O9 Mn4 N11 88.1(2) . . ?
O3 Mn4 N11 88.0(2) . . ?
O9 Mn4 N7 95.8(2) . . ?
O3 Mn4 N7 88.1(3) . . ?
N11 Mn4 N7 164.6(3) . . ?
O9 Mn4 O6 91.3(2) . . ?
O3 Mn4 O6 89.9(2) . . ?
N11 Mn4 O6 114.1(2) . . ?
N7 Mn4 O6 80.8(2) . . ?
O9 Mn4 N9 89.3(2) . . ?
O3 Mn4 N9 91.6(2) . . ?
N11 Mn4 N9 96.4(3) . . ?
N7 Mn4 N9 68.8(2) . . ?
O6 Mn4 N9 149.5(2) . . ?
C7 N1 N2 107.3(7) . . ?
C7 N1 Mn1 127.3(6) . . ?
N2 N1 Mn1 125.4(5) . . ?
C8 N2 N1 103.1(6) . . ?
C8 N2 Mn3 142.9(6) . 2_556 ?
N1 N2 Mn3 114.1(4) . 2_556 ?
C7 N3 C8 103.1(7) . . ?
C9 N4 C12 116.4(7) . . ?
C10 N5 C11 118.6(8) . . ?
C19 N6 N7 105.7(7) . . ?
C19 N6 Mn2 133.4(6) . . ?
N7 N6 Mn2 119.9(5) . . ?
C20 N7 N6 106.4(7) . . ?
C20 N7 Mn4 127.1(5) . . ?
N6 N7 Mn4 124.5(5) . . ?
C19 N8 C20 103.1(7) . . ?
C24 N9 C21 117.3(7) . . ?
C24 N9 Mn4 130.4(6) . . ?
C21 N9 Mn4 112.1(5) . . ?
C22 N10 C23 115.0(9) . . ?
C31 N11 N12 107.4(6) . . ?
C31 N11 Mn4 125.7(5) . . ?
N12 N11 Mn4 126.6(5) . . ?
C32 N12 N11 104.9(6) . . ?
C32 N12 Mn3 142.9(5) . . ?
N11 N12 Mn3 112.1(4) . . ?
C32 N13 C31 103.1(6) . . ?
C36 N14 C33 116.8(7) . . ?
C34 N15 C35 114.3(8) . . ?
C1 O1 Mn1 132.5(5) . . ?
C1 O1 Mn2 138.1(5) . . ?
Mn1 O1 Mn2 87.7(2) . . ?
C13 O2 Mn2 133.4(6) . . ?
C25 O3 Mn4 127.7(5) . . ?
C37 O4 Mn1 122.8(5) . . ?
C37 O5 Mn2 131.0(6) . . ?
Mn1 O6 Mn2 104.8(2) . . ?
Mn1 O6 Mn4 118.2(3) . . ?
Mn2 O6 Mn4 121.1(3) . . ?
Mn1 O7 Mn3 121.8(2) . 2_556 ?
Mn1 O7 Mn3 111.3(2) . . ?
Mn3 O7 Mn3 100.2(2) 2_556 . ?
Mn1 O7 H7A 107.5 . . ?
Mn3 O7 H7A 107.6 2_556 . ?
Mn3 O7 H7A 107.7 . . ?
Mn2 O8 H8B 92.4 . . ?
Mn2 O8 H8C 92.1 . . ?
H8B O8 H8C 97.6 . . ?
Mn4 O9 Mn3 123.0(3) . . ?
Mn4 O9 H9A 118.5 . . ?
Mn3 O9 H9A 118.5 . . ?
Mn3 O10 H10C 96.6 . . ?
Mn3 O10 H10D 96.0 . . ?
H10C O10 H10D 96.8 . . ?
O1 C1 C2 122.0(7) . . ?
O1 C1 C6 117.4(8) . . ?
C2 C1 C6 120.6(8) . . ?
C1 C2 C3 117.4(8) . . ?
C1 C2 C7 123.6(8) . . ?
C3 C2 C7 119.0(9) . . ?
C4 C3 C2 121.7(10) . . ?
C4 C3 H3 119.2 . . ?
C2 C3 H3 119.2 . . ?
C3 C4 C5 121.3(9) . . ?
C3 C4 H4 119.4 . . ?
C5 C4 H4 119.4 . . ?
C6 C5 C4 118.8(10) . . ?
C6 C5 H5 120.6 . . ?
C4 C5 H5 120.6 . . ?
C5 C6 C1 120.2(10) . . ?
C5 C6 H6 119.9 . . ?
C1 C6 H6 119.9 . . ?
N3 C7 N1 111.9(7) . . ?
N3 C7 C2 123.4(7) . . ?
N1 C7 C2 124.6(8) . . ?
N3 C8 N2 114.5(7) . . ?
N3 C8 C9 120.7(7) . . ?
N2 C8 C9 124.8(7) . . ?
N4 C9 C10 120.9(8) . . ?
N4 C9 C8 120.8(7) . . ?
C10 C9 C8 118.3(8) . . ?
N5 C10 C9 122.0(9) . . ?
N5 C10 H10A 119.0 . . ?
C9 C10 H10A 119.0 . . ?
N5 C11 C12 118.8(10) . . ?
N5 C11 H11 120.6 . . ?
C12 C11 H11 120.6 . . ?
N4 C12 C11 123.2(9) . . ?
N4 C12 H12 118.4 . . ?
C11 C12 H12 118.4 . . ?
O2 C13 C14 126.3(8) . . ?
O2 C13 C18 117.6(8) . . ?
C14 C13 C18 115.9(9) . . ?
C15 C14 C13 120.1(9) . . ?
C15 C14 C19 120.5(8) . . ?
C13 C14 C19 119.3(8) . . ?
C16 C15 C14 122.2(10) . . ?
C16 C15 H15 118.9 . . ?
C14 C15 H15 118.9 . . ?
C15 C16 C17 119.0(10) . . ?
C15 C16 H16 120.5 . . ?
C17 C16 H16 120.5 . . ?
C18 C17 C16 120.5(10) . . ?
C18 C17 H17 119.8 . . ?
C16 C17 H17 119.8 . . ?
C17 C18 C13 122.2(10) . . ?
C17 C18 H18 118.9 . . ?
C13 C18 H18 118.9 . . ?
N6 C19 N8 112.8(7) . . ?
N6 C19 C14 120.5(8) . . ?
N8 C19 C14 126.6(8) . . ?
N7 C20 N8 111.9(7) . . ?
N7 C20 C21 117.3(7) . . ?
N8 C20 C21 130.7(8) . . ?
N9 C21 C22 120.1(8) . . ?
N9 C21 C20 114.0(7) . . ?
C22 C21 C20 125.9(8) . . ?
N10 C22 C21 123.6(9) . . ?
N10 C22 H22 118.2 . . ?
C21 C22 H22 118.2 . . ?
N10 C23 C24 123.3(9) . . ?
N10 C23 H23 118.3 . . ?
C24 C23 H23 118.3 . . ?
N9 C24 C23 120.7(9) . . ?
N9 C24 H24 119.7 . . ?
C23 C24 H24 119.7 . . ?
O3 C25 C30 119.1(8) . . ?
O3 C25 C26 123.1(7) . . ?
C30 C25 C26 117.8(7) . . ?
C25 C26 C27 121.3(8) . . ?
C25 C26 C31 120.3(7) . . ?
C27 C26 C31 118.3(7) . . ?
C28 C27 C26 119.1(8) . . ?
C28 C27 H27 120.4 . . ?
C26 C27 H27 120.4 . . ?
C27 C28 C29 119.7(8) . . ?
C27 C28 H28 120.2 . . ?
C29 C28 H28 120.2 . . ?
C30 C29 C28 119.8(9) . . ?
C30 C29 H29 120.1 . . ?
C28 C29 H29 120.1 . . ?
C25 C30 C29 122.0(9) . . ?
C25 C30 H30 119.0 . . ?
C29 C30 H30 119.0 . . ?
N13 C31 N11 110.7(7) . . ?
N13 C31 C26 125.9(7) . . ?
N11 C31 C26 123.4(7) . . ?
N12 C32 N13 113.9(7) . . ?
N12 C32 C33 125.7(7) . . ?
N13 C32 C33 120.4(7) . . ?
N14 C33 C34 120.4(8) . . ?
N14 C33 C32 119.7(7) . . ?
C34 C33 C32 119.9(8) . . ?
N15 C34 C33 123.2(9) . . ?
N15 C34 H34 118.4 . . ?
C33 C34 H34 118.4 . . ?
N15 C35 C36 123.7(8) . . ?
N15 C35 H35 118.1 . . ?
C36 C35 H35 118.1 . . ?
N14 C36 C35 121.5(9) . . ?
N14 C36 H36 119.3 . . ?
C35 C36 H36 119.3 . . ?
O5 C37 O4 125.4(8) . . ?
O5 C37 C38 116.2(8) . . ?
O4 C37 C38 118.5(9) . . ?
C37 C38 H38A 109.5 . . ?
C37 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C37 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?

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
O7 Mn1 Mn2 O6 17.3(3) . . . . ?
O1 Mn1 Mn2 O6 -146.5(3) . . . . ?
N1 Mn1 Mn2 O6 -169.4(4) . . . . ?
O4 Mn1 Mn2 O6 107.9(3) . . . . ?
O6 Mn1 Mn2 O2 169.2(4) . . . . ?
O7 Mn1 Mn2 O2 -173.5(4) . . . . ?
O1 Mn1 Mn2 O2 22.6(4) . . . . ?
N1 Mn1 Mn2 O2 -0.3(4) . . . . ?
O4 Mn1 Mn2 O2 -83.0(3) . . . . ?
O6 Mn1 Mn2 N6 68.2(3) . . . . ?
O7 Mn1 Mn2 N6 85.5(3) . . . . ?
O1 Mn1 Mn2 N6 -78.3(3) . . . . ?
N1 Mn1 Mn2 N6 -101.2(3) . . . . ?
O4 Mn1 Mn2 N6 176.1(3) . . . . ?
O6 Mn1 Mn2 O5 -114.0(3) . . . . ?
O7 Mn1 Mn2 O5 -96.6(3) . . . . ?
O1 Mn1 Mn2 O5 99.5(3) . . . . ?
N1 Mn1 Mn2 O5 76.6(3) . . . . ?
O4 Mn1 Mn2 O5 -6.1(2) . . . . ?
O6 Mn1 Mn2 O8 -32.2(3) . . . . ?
O7 Mn1 Mn2 O8 -14.9(3) . . . . ?
O1 Mn1 Mn2 O8 -178.8(3) . . . . ?
N1 Mn1 Mn2 O8 158.3(3) . . . . ?
O4 Mn1 Mn2 O8 75.6(2) . . . . ?
O6 Mn1 Mn2 O1 146.5(3) . . . . ?
O7 Mn1 Mn2 O1 163.9(3) . . . . ?
N1 Mn1 Mn2 O1 -22.9(3) . . . . ?
O4 Mn1 Mn2 O1 -105.6(3) . . . . ?
O6 Mn1 N1 C7 -45(2) . . . . ?
O7 Mn1 N1 C7 -163.1(7) . . . . ?
O1 Mn1 N1 C7 4.1(7) . . . . ?
O4 Mn1 N1 C7 100.2(7) . . . . ?
Mn2 Mn1 N1 C7 22.0(8) . . . . ?
O6 Mn1 N1 N2 133.4(19) . . . . ?
O7 Mn1 N1 N2 15.0(6) . . . . ?
O1 Mn1 N1 N2 -177.8(6) . . . . ?
O4 Mn1 N1 N2 -81.7(6) . . . . ?
Mn2 Mn1 N1 N2 -159.9(4) . . . . ?
C7 N1 N2 C8 0.7(8) . . . . ?
Mn1 N1 N2 C8 -177.7(5) . . . . ?
C7 N1 N2 Mn3 -178.1(5) . . . 2_556 ?
Mn1 N1 N2 Mn3 3.5(7) . . . 2_556 ?
O6 Mn2 N6 C19 -176.7(8) . . . . ?
O2 Mn2 N6 C19 8.2(8) . . . . ?
O5 Mn2 N6 C19 -5(4) . . . . ?
O8 Mn2 N6 C19 -87.1(8) . . . . ?
O1 Mn2 N6 C19 109.8(8) . . . . ?
Mn1 Mn2 N6 C19 149.0(7) . . . . ?
O6 Mn2 N6 N7 -9.8(6) . . . . ?
O2 Mn2 N6 N7 175.1(6) . . . . ?
O5 Mn2 N6 N7 162(3) . . . . ?
O8 Mn2 N6 N7 79.8(6) . . . . ?
O1 Mn2 N6 N7 -83.3(6) . . . . ?
Mn1 Mn2 N6 N7 -44.1(6) . . . . ?
C19 N6 N7 C20 0.3(9) . . . . ?
Mn2 N6 N7 C20 -169.9(5) . . . . ?
C19 N6 N7 Mn4 165.3(5) . . . . ?
Mn2 N6 N7 Mn4 -4.9(8) . . . . ?
O9 Mn4 N7 C20 -93.1(7) . . . . ?
O3 Mn4 N7 C20 86.4(7) . . . . ?
N11 Mn4 N7 C20 10.9(14) . . . . ?
O6 Mn4 N7 C20 176.6(7) . . . . ?
N9 Mn4 N7 C20 -6.0(6) . . . . ?
O9 Mn4 N7 N6 105.1(6) . . . . ?
O3 Mn4 N7 N6 -75.5(6) . . . . ?
N11 Mn4 N7 N6 -150.9(9) . . . . ?
O6 Mn4 N7 N6 14.7(6) . . . . ?
N9 Mn4 N7 N6 -167.9(7) . . . . ?
O9 Mn4 N9 C24 -78.0(8) . . . . ?
O3 Mn4 N9 C24 98.2(8) . . . . ?
N11 Mn4 N9 C24 10.0(8) . . . . ?
N7 Mn4 N9 C24 -174.4(8) . . . . ?
O6 Mn4 N9 C24 -169.3(6) . . . . ?
O9 Mn4 N9 C21 97.0(6) . . . . ?
O3 Mn4 N9 C21 -86.9(5) . . . . ?
N11 Mn4 N9 C21 -175.0(5) . . . . ?
N7 Mn4 N9 C21 0.5(5) . . . . ?
O6 Mn4 N9 C21 5.6(8) . . . . ?
O9 Mn4 N11 C31 164.9(6) . . . . ?
O3 Mn4 N11 C31 -15.6(6) . . . . ?
N7 Mn4 N11 C31 59.9(13) . . . . ?
O6 Mn4 N11 C31 -104.6(6) . . . . ?
N9 Mn4 N11 C31 75.8(6) . . . . ?
O9 Mn4 N11 N12 -22.1(6) . . . . ?
O3 Mn4 N11 N12 157.4(6) . . . . ?
N7 Mn4 N11 N12 -127.1(10) . . . . ?
O6 Mn4 N11 N12 68.4(7) . . . . ?
N9 Mn4 N11 N12 -111.2(6) . . . . ?
C31 N11 N12 C32 -1.2(8) . . . . ?
Mn4 N11 N12 C32 -175.2(5) . . . . ?
C31 N11 N12 Mn3 -177.6(4) . . . . ?
Mn4 N11 N12 Mn3 8.3(8) . . . . ?
O9 Mn3 N12 C32 -165.5(9) . . . . ?
O7 Mn3 N12 C32 31.7(9) 2_556 . . . ?
O10 Mn3 N12 C32 -62.8(9) . . . . ?
N2 Mn3 N12 C32 -11(4) 2_556 . . . ?
O7 Mn3 N12 C32 109.6(9) . . . . ?
O9 Mn3 N12 N11 8.8(5) . . . . ?
O7 Mn3 N12 N11 -154.0(5) 2_556 . . . ?
O10 Mn3 N12 N11 111.6(5) . . . . ?
N2 Mn3 N12 N11 163(3) 2_556 . . . ?
O7 Mn3 N12 N11 -76.1(5) . . . . ?
O6 Mn1 O1 C1 173.1(7) . . . . ?
O7 Mn1 O1 C1 82.3(12) . . . . ?
N1 Mn1 O1 C1 -1.6(7) . . . . ?
O4 Mn1 O1 C1 -94.4(7) . . . . ?
Mn2 Mn1 O1 C1 -167.1(7) . . . . ?
O6 Mn1 O1 Mn2 -19.85(19) . . . . ?
O7 Mn1 O1 Mn2 -110.7(10) . . . . ?
N1 Mn1 O1 Mn2 165.5(2) . . . . ?
O4 Mn1 O1 Mn2 72.6(2) . . . . ?
O6 Mn2 O1 C1 -173.9(8) . . . . ?
O2 Mn2 O1 C1 0.3(7) . . . . ?
N6 Mn2 O1 C1 -86.1(7) . . . . ?
O5 Mn2 O1 C1 89.5(7) . . . . ?
O8 Mn2 O1 C1 169.1(7) . . . . ?
Mn1 Mn2 O1 C1 165.7(8) . . . . ?
O6 Mn2 O1 Mn1 20.4(2) . . . . ?
O2 Mn2 O1 Mn1 -165.4(2) . . . . ?
N6 Mn2 O1 Mn1 108.2(2) . . . . ?
O5 Mn2 O1 Mn1 -76.2(2) . . . . ?
O8 Mn2 O1 Mn1 3.4(8) . . . . ?
O6 Mn2 O2 C13 -40(2) . . . . ?
N6 Mn2 O2 C13 3.4(8) . . . . ?
O5 Mn2 O2 C13 -177.8(8) . . . . ?
O8 Mn2 O2 C13 93.7(8) . . . . ?
O1 Mn2 O2 C13 -89.7(8) . . . . ?
Mn1 Mn2 O2 C13 -104.3(8) . . . . ?
O9 Mn4 O3 C25 44(4) . . . . ?
N11 Mn4 O3 C25 36.7(6) . . . . ?
N7 Mn4 O3 C25 -128.4(6) . . . . ?
O6 Mn4 O3 C25 150.8(6) . . . . ?
N9 Mn4 O3 C25 -59.7(6) . . . . ?
O6 Mn1 O4 C37 43.6(6) . . . . ?
O7 Mn1 O4 C37 138.6(6) . . . . ?
O1 Mn1 O4 C37 -42.2(6) . . . . ?
N1 Mn1 O4 C37 -132.4(6) . . . . ?
Mn2 Mn1 O4 C37 7.8(6) . . . . ?
O6 Mn2 O5 C37 -25.8(7) . . . . ?
O2 Mn2 O5 C37 149.3(7) . . . . ?
N6 Mn2 O5 C37 163(3) . . . . ?
O8 Mn2 O5 C37 -115.3(7) . . . . ?
O1 Mn2 O5 C37 47.4(7) . . . . ?
Mn1 Mn2 O5 C37 8.0(7) . . . . ?
O7 Mn1 O6 Mn2 -167.0(2) . . . . ?
O1 Mn1 O6 Mn2 25.9(3) . . . . ?
N1 Mn1 O6 Mn2 75(2) . . . . ?
O4 Mn1 O6 Mn2 -69.9(3) . . . . ?
O7 Mn1 O6 Mn4 54.6(3) . . . . ?
O1 Mn1 O6 Mn4 -112.5(3) . . . . ?
N1 Mn1 O6 Mn4 -63(2) . . . . ?
O4 Mn1 O6 Mn4 151.7(3) . . . . ?
Mn2 Mn1 O6 Mn4 -138.4(4) . . . . ?
O2 Mn2 O6 Mn1 -73(2) . . . . ?
N6 Mn2 O6 Mn1 -116.0(3) . . . . ?
O5 Mn2 O6 Mn1 64.7(3) . . . . ?
O8 Mn2 O6 Mn1 153.2(3) . . . . ?
O1 Mn2 O6 Mn1 -21.7(2) . . . . ?
O2 Mn2 O6 Mn4 64(2) . . . . ?
N6 Mn2 O6 Mn4 20.9(3) . . . . ?
O5 Mn2 O6 Mn4 -158.4(3) . . . . ?
O8 Mn2 O6 Mn4 -69.9(3) . . . . ?
O1 Mn2 O6 Mn4 115.2(3) . . . . ?
Mn1 Mn2 O6 Mn4 136.9(4) . . . . ?
O9 Mn4 O6 Mn1 14.0(3) . . . . ?
O3 Mn4 O6 Mn1 -162.3(3) . . . . ?
N11 Mn4 O6 Mn1 -74.5(3) . . . . ?
N7 Mn4 O6 Mn1 109.6(3) . . . . ?
N9 Mn4 O6 Mn1 104.8(4) . . . . ?
O9 Mn4 O6 Mn2 -117.5(3) . . . . ?
O3 Mn4 O6 Mn2 66.3(3) . . . . ?
N11 Mn4 O6 Mn2 154.0(3) . . . . ?
N7 Mn4 O6 Mn2 -21.8(3) . . . . ?
N9 Mn4 O6 Mn2 -26.6(6) . . . . ?
O6 Mn1 O7 Mn3 155.1(3) . . . 2_556 ?
O1 Mn1 O7 Mn3 -115.1(10) . . . 2_556 ?
N1 Mn1 O7 Mn3 -31.1(3) . . . 2_556 ?
O4 Mn1 O7 Mn3 61.6(3) . . . 2_556 ?
Mn2 Mn1 O7 Mn3 144.51(17) . . . 2_556 ?
O6 Mn1 O7 Mn3 -87.3(2) . . . . ?
O1 Mn1 O7 Mn3 2.5(11) . . . . ?
N1 Mn1 O7 Mn3 86.5(3) . . . . ?
O4 Mn1 O7 Mn3 179.2(2) . . . . ?
Mn2 Mn1 O7 Mn3 -97.8(2) . . . . ?
O9 Mn3 O7 Mn1 37.7(2) . . . . ?
O7 Mn3 O7 Mn1 -140.72(17) 2_556 . . . ?
O10 Mn3 O7 Mn1 168.6(11) . . . . ?
N12 Mn3 O7 Mn1 120.8(3) . . . . ?
N2 Mn3 O7 Mn1 -62.3(3) 2_556 . . . ?
O9 Mn3 O7 Mn3 167.8(2) . . . 2_556 ?
O7 Mn3 O7 Mn3 -10.6(3) 2_556 . . 2_556 ?
O10 Mn3 O7 Mn3 -61.3(13) . . . 2_556 ?
N12 Mn3 O7 Mn3 -109.1(2) . . . 2_556 ?
N2 Mn3 O7 Mn3 67.8(2) 2_556 . . 2_556 ?
O3 Mn4 O9 Mn3 22(4) . . . . ?
N11 Mn4 O9 Mn3 29.4(4) . . . . ?
N7 Mn4 O9 Mn3 -165.5(3) . . . . ?
O6 Mn4 O9 Mn3 -84.6(3) . . . . ?
N9 Mn4 O9 Mn3 125.9(3) . . . . ?
O7 Mn3 O9 Mn4 62.4(8) 2_556 . . . ?
O10 Mn3 O9 Mn4 -114.8(3) . . . . ?
N12 Mn3 O9 Mn4 -26.0(3) . . . . ?
N2 Mn3 O9 Mn4 155.5(3) 2_556 . . . ?
O7 Mn3 O9 Mn4 57.2(3) . . . . ?
Mn1 O1 C1 C2 -1.1(12) . . . . ?
Mn2 O1 C1 C2 -161.5(6) . . . . ?
Mn1 O1 C1 C6 179.4(6) . . . . ?
Mn2 O1 C1 C6 18.9(12) . . . . ?
O1 C1 C2 C3 179.6(7) . . . . ?
C6 C1 C2 C3 -0.8(13) . . . . ?
O1 C1 C2 C7 2.3(13) . . . . ?
C6 C1 C2 C7 -178.1(8) . . . . ?
C1 C2 C3 C4 1.3(15) . . . . ?
C7 C2 C3 C4 178.8(10) . . . . ?
C2 C3 C4 C5 0.1(18) . . . . ?
C3 C4 C5 C6 -2.0(18) . . . . ?
C4 C5 C6 C1 2.5(16) . . . . ?
O1 C1 C6 C5 178.5(8) . . . . ?
C2 C1 C6 C5 -1.1(15) . . . . ?
C8 N3 C7 N1 -1.0(9) . . . . ?
C8 N3 C7 C2 -178.3(8) . . . . ?
N2 N1 C7 N3 0.2(9) . . . . ?
Mn1 N1 C7 N3 178.5(5) . . . . ?
N2 N1 C7 C2 177.4(7) . . . . ?
Mn1 N1 C7 C2 -4.2(12) . . . . ?
C1 C2 C7 N3 177.4(8) . . . . ?
C3 C2 C7 N3 0.1(13) . . . . ?
C1 C2 C7 N1 0.5(13) . . . . ?
C3 C2 C7 N1 -176.8(8) . . . . ?
C7 N3 C8 N2 1.6(9) . . . . ?
C7 N3 C8 C9 -179.9(7) . . . . ?
N1 N2 C8 N3 -1.5(9) . . . . ?
Mn3 N2 C8 N3 176.8(6) 2_556 . . . ?
N1 N2 C8 C9 -180.0(7) . . . . ?
Mn3 N2 C8 C9 -1.7(14) 2_556 . . . ?
C12 N4 C9 C10 -1.0(13) . . . . ?
C12 N4 C9 C8 -178.4(8) . . . . ?
N3 C8 C9 N4 174.8(8) . . . . ?
N2 C8 C9 N4 -6.8(13) . . . . ?
N3 C8 C9 C10 -2.7(12) . . . . ?
N2 C8 C9 C10 175.7(8) . . . . ?
C11 N5 C10 C9 -0.2(15) . . . . ?
N4 C9 C10 N5 1.5(14) . . . . ?
C8 C9 C10 N5 179.0(9) . . . . ?
C10 N5 C11 C12 -1.5(16) . . . . ?
C9 N4 C12 C11 -0.7(15) . . . . ?
N5 C11 C12 N4 2.0(16) . . . . ?
Mn2 O2 C13 C14 -9.9(15) . . . . ?
Mn2 O2 C13 C18 174.7(7) . . . . ?
O2 C13 C14 C15 -176.8(9) . . . . ?
C18 C13 C14 C15 -1.3(13) . . . . ?
O2 C13 C14 C19 5.4(14) . . . . ?
C18 C13 C14 C19 -179.2(8) . . . . ?
C13 C14 C15 C16 2.0(16) . . . . ?
C19 C14 C15 C16 179.9(10) . . . . ?
C14 C15 C16 C17 -2.9(18) . . . . ?
C15 C16 C17 C18 3.2(19) . . . . ?
C16 C17 C18 C13 -2.7(18) . . . . ?
O2 C13 C18 C17 177.5(10) . . . . ?
C14 C13 C18 C17 1.7(15) . . . . ?
N7 N6 C19 N8 1.2(10) . . . . ?
Mn2 N6 C19 N8 169.5(6) . . . . ?
N7 N6 C19 C14 178.8(7) . . . . ?
Mn2 N6 C19 C14 -12.9(12) . . . . ?
C20 N8 C19 N6 -2.2(10) . . . . ?
C20 N8 C19 C14 -179.6(8) . . . . ?
C15 C14 C19 N6 -172.5(8) . . . . ?
C13 C14 C19 N6 5.4(13) . . . . ?
C15 C14 C19 N8 4.7(14) . . . . ?
C13 C14 C19 N8 -177.4(9) . . . . ?
N6 N7 C20 N8 -1.7(9) . . . . ?
Mn4 N7 C20 N8 -166.1(5) . . . . ?
N6 N7 C20 C21 175.2(7) . . . . ?
Mn4 N7 C20 C21 10.8(11) . . . . ?
C19 N8 C20 N7 2.3(9) . . . . ?
C19 N8 C20 C21 -174.1(9) . . . . ?
C24 N9 C21 C22 1.4(12) . . . . ?
Mn4 N9 C21 C22 -174.3(6) . . . . ?
C24 N9 C21 C20 179.7(7) . . . . ?
Mn4 N9 C21 C20 4.1(8) . . . . ?
N7 C20 C21 N9 -8.9(11) . . . . ?
N8 C20 C21 N9 167.3(8) . . . . ?
N7 C20 C21 C22 169.4(8) . . . . ?
N8 C20 C21 C22 -14.4(15) . . . . ?
C23 N10 C22 C21 0.1(15) . . . . ?
N9 C21 C22 N10 -1.6(14) . . . . ?
C20 C21 C22 N10 -179.7(9) . . . . ?
C22 N10 C23 C24 1.6(16) . . . . ?
C21 N9 C24 C23 0.2(13) . . . . ?
Mn4 N9 C24 C23 174.9(7) . . . . ?
N10 C23 C24 N9 -1.8(16) . . . . ?
Mn4 O3 C25 C30 147.3(6) . . . . ?
Mn4 O3 C25 C26 -34.5(11) . . . . ?
O3 C25 C26 C27 -178.3(7) . . . . ?
C30 C25 C26 C27 -0.1(12) . . . . ?
O3 C25 C26 C31 -0.5(12) . . . . ?
C30 C25 C26 C31 177.7(7) . . . . ?
C25 C26 C27 C28 -3.5(13) . . . . ?
C31 C26 C27 C28 178.7(8) . . . . ?
C26 C27 C28 C29 5.0(13) . . . . ?
C27 C28 C29 C30 -3.0(14) . . . . ?
O3 C25 C30 C29 -179.5(7) . . . . ?
C26 C25 C30 C29 2.1(13) . . . . ?
C28 C29 C30 C25 -0.7(14) . . . . ?
C32 N13 C31 N11 -1.1(9) . . . . ?
C32 N13 C31 C26 -177.9(8) . . . . ?
N12 N11 C31 N13 1.5(9) . . . . ?
Mn4 N11 C31 N13 175.6(5) . . . . ?
N12 N11 C31 C26 178.3(7) . . . . ?
Mn4 N11 C31 C26 -7.5(11) . . . . ?
C25 C26 C31 N13 -162.7(8) . . . . ?
C27 C26 C31 N13 15.1(12) . . . . ?
C25 C26 C31 N11 20.9(12) . . . . ?
C27 C26 C31 N11 -161.3(7) . . . . ?
N11 N12 C32 N13 0.5(9) . . . . ?
Mn3 N12 C32 N13 175.1(6) . . . . ?
N11 N12 C32 C33 179.5(8) . . . . ?
Mn3 N12 C32 C33 -5.9(14) . . . . ?
C31 N13 C32 N12 0.3(9) . . . . ?
C31 N13 C32 C33 -178.7(7) . . . . ?
C36 N14 C33 C34 -1.4(12) . . . . ?
C36 N14 C33 C32 178.0(8) . . . . ?
N12 C32 C33 N14 -2.4(13) . . . . ?
N13 C32 C33 N14 176.6(7) . . . . ?
N12 C32 C33 C34 177.0(8) . . . . ?
N13 C32 C33 C34 -4.1(13) . . . . ?
C35 N15 C34 C33 1.6(15) . . . . ?
N14 C33 C34 N15 -1.0(15) . . . . ?
C32 C33 C34 N15 179.7(9) . . . . ?
C34 N15 C35 C36 0.0(15) . . . . ?
C33 N14 C36 C35 3.0(13) . . . . ?
N15 C35 C36 N14 -2.4(15) . . . . ?
Mn2 O5 C37 O4 -4.5(13) . . . . ?
Mn2 O5 C37 C38 174.0(5) . . . . ?
Mn1 O4 C37 O5 -5.4(12) . . . . ?
Mn1 O4 C37 C38 176.1(5) . . . . ?

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
O7 H7A N14 0.85 1.96 2.772(8) 160.1 2_556
O8 H8C O3 0.85 2.29 2.766(8) 115.6 .
O8 H8C O3 0.85 2.29 2.766(8) 115.6 .
O9 H9A N4 0.85 2.06 2.713(8) 133.8 2_556
O10 H10D O4 0.85 2.31 2.789(9) 115.8 2_556
O10 H10D O4 0.85 2.31 2.789(9) 115.8 2_556

loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
1 0.250 0.831 0.102 734.2 45.0
2 0.750 0.331 0.102 734.2 45.0
3 0.500 0.779 0.250 169.4 5.1
4 1.000 0.279 0.250 169.4 5.1
5 0.500 0.221 0.750 169.4 4.8
6 1.000 0.721 0.750 169.4 4.8
_platon_squeeze_details          
;
;

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        25.02
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         0.652
_refine_diff_density_min         -0.734
_refine_diff_density_rms         0.123
_database_code_depnum_ccdc_archive 'CCDC 1009906'
