# Electronic Supplementary Material (ESI) for CrystEngComm.
# This journal is © The Royal Society of Chemistry 2018

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_ic17368
_database_code_depnum_ccdc_archive 'CCDC 1496544'
_audit_update_record             
;
2016-07-28 deposited with the CCDC.
2018-10-05 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C42 H64 Cl4 Mn7 N21 O26'
_chemical_formula_weight         1805.52

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'
Cl Cl 0.1484 0.1585 '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                   20.8441(10)
_cell_length_b                   16.0569(8)
_cell_length_c                   23.1343(11)
_cell_angle_alpha                90.00
_cell_angle_beta                 114.1605(11)
_cell_angle_gamma                90.00
_cell_volume                     7064.6(6)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    5979
_cell_measurement_theta_min      2.19
_cell_measurement_theta_max      24.71

_exptl_crystal_description       block
_exptl_crystal_colour            red-brown
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.25
_exptl_crystal_density_meas      not_measured
_exptl_crystal_density_diffrn    1.698
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3656
_exptl_absorpt_coefficient_mu    1.451
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6538
_exptl_absorpt_correction_T_max  0.7130
_exptl_absorpt_process_details   'SADABS (BRUKER, 2001)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      150(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  'BRUKER SMART APEXCCD area detector'
_diffrn_measurement_method       'omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            26970
_diffrn_reflns_av_R_equivalents  0.0392
_diffrn_reflns_av_sigmaI/netI    0.0383
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_theta_min         1.66
_diffrn_reflns_theta_max         27.50
_reflns_number_total             8104
_reflns_number_gt                6560
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_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)+(0.0797P)²+22.4669P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         8104
_refine_ls_number_parameters     472
_refine_ls_number_restraints     134
_refine_ls_R_factor_all          0.0664
_refine_ls_R_factor_gt           0.0527
_refine_ls_wR_factor_ref         0.1529
_refine_ls_wR_factor_gt          0.1438
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_restrained_S_all      1.037
_refine_ls_shift/su_max          0.009
_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 0.2500 0.7500 0.0000 0.01904(15) Uani 1 2 d S . .
Mn2 Mn 0.22228(3) 0.54424(3) -0.03602(3) 0.02702(14) Uani 1 1 d . . .
Mn3 Mn 0.31864(3) 0.60237(3) 0.10816(2) 0.02752(14) Uani 1 1 d . . .
Mn4 Mn 0.35318(3) 0.80562(3) 0.14375(2) 0.02727(14) Uani 1 1 d . . .
Cl1 Cl 0.3153(3) 0.4424(4) 0.1997(3) 0.0582(10) Uani 0.559(4) 1 d PU A 1
Cl1' Cl 0.2944(4) 0.4530(5) 0.2059(4) 0.0582(10) Uani 0.441(4) 1 d PU A 2
O1 O 0.34195(12) 0.72146(15) 0.06453(10) 0.0230(5) Uani 1 1 d . A .
O2 O 0.25494(12) 0.67240(15) -0.06360(11) 0.0263(5) Uani 1 1 d . . .
O3 O 0.30275(13) 0.51570(16) 0.03540(13) 0.0330(6) Uani 1 1 d . A .
O4 O 0.21678(12) 0.63416(16) 0.03025(11) 0.0267(5) Uani 1 1 d . A .
O5 O 0.14222(13) 0.57552(17) -0.10766(12) 0.0329(6) Uani 1 1 d . . .
O6 O 0.2998(4) 0.5232(4) 0.1764(3) 0.0648(14) Uani 0.559(4) 1 d PU A 1
O7 O 0.2580(6) 0.3874(6) 0.1629(5) 0.080(2) Uani 0.559(4) 1 d PU A 1
O8 O 0.3282(7) 0.4374(10) 0.2622(5) 0.127(3) Uani 0.559(4) 1 d PU A 1
O9 O 0.3783(6) 0.4185(6) 0.1889(6) 0.112(2) Uani 0.559(4) 1 d PU A 1
O6' O 0.3019(6) 0.4816(5) 0.1500(4) 0.0648(14) Uani 0.441(4) 1 d PU A 2
O7' O 0.2734(8) 0.3716(7) 0.1980(6) 0.080(2) Uani 0.441(4) 1 d PU A 2
O8' O 0.3662(9) 0.4444(14) 0.2590(7) 0.127(3) Uani 0.441(4) 1 d PU A 2
O9' O 0.2475(8) 0.5037(7) 0.2176(7) 0.112(2) Uani 0.441(4) 1 d PU A 2
N1 N 0.20595(17) 0.41313(19) -0.06378(15) 0.0323(7) Uani 1 1 d . . .
N2 N 0.29757(17) 0.51401(19) -0.08335(16) 0.0322(7) Uani 1 1 d . . .
N3 N 0.13326(16) 0.4942(2) -0.00896(15) 0.0324(7) Uani 1 1 d . . .
N4 N 0.30956(18) 0.6959(2) 0.17114(14) 0.0356(7) Uani 1 1 d . A .
N5 N 0.2897(2) 0.6928(2) 0.21319(16) 0.0398(8) Uani 1 1 d . . .
N6 N 0.2721(3) 0.6915(3) 0.2533(2) 0.0665(13) Uani 1 1 d . A .
N7 N 0.46587(17) 0.7865(2) 0.19478(16) 0.0405(8) Uani 1 1 d . A .
N8 N 0.5000 0.7871(3) 0.2500 0.0308(9) Uani 1 2 d S . .
N9 N 0.43287(18) 0.5862(2) 0.14941(17) 0.0412(8) Uani 1 1 d . A .
N10 N 0.3581(2) 0.8620(2) 0.23400(16) 0.0449(9) Uani 1 1 d . A .
C1 C 0.2326(2) 0.3818(2) -0.10302(19) 0.0350(8) Uani 1 1 d . . .
C2 C 0.2236(3) 0.2993(3) -0.1214(2) 0.0435(10) Uani 1 1 d . . .
H2 H 0.2436 0.2777 -0.1485 0.052 Uiso 1 1 calc R . .
C3 C 0.1849(3) 0.2492(3) -0.0991(2) 0.0488(11) Uani 1 1 d . . .
H3 H 0.1774 0.1923 -0.1114 0.059 Uiso 1 1 calc R . .
C4 C 0.1571(3) 0.2814(3) -0.0593(2) 0.0437(10) Uani 1 1 d . . .
H4 H 0.1301 0.2475 -0.0440 0.052 Uiso 1 1 calc R . .
C5 C 0.1692(2) 0.3640(2) -0.04206(18) 0.0341(8) Uani 1 1 d . . .
C6 C 0.2688(2) 0.4440(2) -0.1280(2) 0.0418(10) Uani 1 1 d . . .
H6A H 0.3075 0.4161 -0.1349 0.050 Uiso 1 1 calc R . .
H6B H 0.2349 0.4656 -0.1693 0.050 Uiso 1 1 calc R . .
C7 C 0.3074(2) 0.5876(2) -0.11764(19) 0.0321(8) Uani 1 1 d . . .
H7A H 0.2669 0.5924 -0.1593 0.038 Uiso 1 1 calc R . .
H7B H 0.3504 0.5802 -0.1253 0.038 Uiso 1 1 calc R . .
C8 C 0.31363(19) 0.6662(2) -0.08043(19) 0.0309(8) Uani 1 1 d . . .
H8A H 0.3580 0.6654 -0.0417 0.037 Uiso 1 1 calc R . .
H8B H 0.3146 0.7150 -0.1062 0.037 Uiso 1 1 calc R . .
C9 C 0.3652(2) 0.4925(3) -0.0294(2) 0.0401(9) Uani 1 1 d . A .
H9A H 0.3956 0.5425 -0.0165 0.048 Uiso 1 1 calc R . .
H9B H 0.3900 0.4493 -0.0430 0.048 Uiso 1 1 calc R . .
C10 C 0.3518(2) 0.4607(2) 0.0260(2) 0.0361(9) Uani 1 1 d . . .
H10A H 0.3324 0.4036 0.0173 0.043 Uiso 1 1 calc R A .
H10B H 0.3964 0.4592 0.0645 0.043 Uiso 1 1 calc R . .
C11 C 0.1446(2) 0.4042(2) 0.0043(2) 0.0379(9) Uani 1 1 d . . .
H11A H 0.1002 0.3779 0.0008 0.046 Uiso 1 1 calc R . .
H11B H 0.1803 0.3958 0.0481 0.046 Uiso 1 1 calc R . .
C12 C 0.1364(2) 0.5405(2) 0.04706(19) 0.0336(8) Uani 1 1 d . A .
H12A H 0.1725 0.5155 0.0859 0.040 Uiso 1 1 calc R . .
H12B H 0.0904 0.5372 0.0500 0.040 Uiso 1 1 calc R . .
C13 C 0.1545(2) 0.6301(2) 0.04187(19) 0.0332(8) Uani 1 1 d . . .
H13A H 0.1151 0.6574 0.0068 0.040 Uiso 1 1 calc R A .
H13B H 0.1623 0.6598 0.0816 0.040 Uiso 1 1 calc R . .
C14 C 0.0672(2) 0.5128(3) -0.0647(2) 0.0405(9) Uani 1 1 d . . .
H14A H 0.0458 0.5641 -0.0567 0.049 Uiso 1 1 calc R . .
H14B H 0.0335 0.4665 -0.0715 0.049 Uiso 1 1 calc R . .
C15 C 0.0812(2) 0.5245(3) -0.12393(19) 0.0385(9) Uani 1 1 d . . .
H15A H 0.0890 0.4698 -0.1397 0.046 Uiso 1 1 calc R . .
H15B H 0.0403 0.5515 -0.1577 0.046 Uiso 1 1 calc R . .
C16 C 0.4910(2) 0.5968(3) 0.1641(2) 0.0458(10) Uani 1 1 d . . .
C17 C 0.5665(3) 0.6138(5) 0.1838(3) 0.0719(17) Uani 1 1 d . A .
H17A H 0.5722 0.6646 0.1628 0.108 Uiso 1 1 calc R . .
H17B H 0.5884 0.5668 0.1717 0.108 Uiso 1 1 calc R . .
H17C H 0.5889 0.6214 0.2298 0.108 Uiso 1 1 calc R . .
C18 C 0.3746(2) 0.8664(3) 0.2867(2) 0.0415(9) Uani 1 1 d . . .
C19 C 0.3976(3) 0.8702(4) 0.3552(2) 0.0659(15) Uani 1 1 d . A .
H19A H 0.4430 0.8419 0.3759 0.099 Uiso 1 1 calc R . .
H19B H 0.3627 0.8429 0.3670 0.099 Uiso 1 1 calc R . .
H19C H 0.4026 0.9286 0.3687 0.099 Uiso 1 1 calc R . .
Cl2 Cl 0.01188(5) 0.21568(7) 0.01124(5) 0.0404(2) Uani 1 1 d . . .
O10 O -0.02591(17) 0.2115(3) 0.05005(17) 0.0719(12) Uani 1 1 d . . .
O11 O -0.0036(2) 0.2922(3) -0.0222(2) 0.0844(15) Uani 1 1 d . . .
O12 O 0.08564(15) 0.2097(2) 0.04882(17) 0.0534(8) Uani 1 1 d . . .
O13 O -0.0102(2) 0.1508(3) -0.0341(2) 0.0944(16) Uani 1 1 d . . .
N11 N 0.5824(7) 0.0796(8) 0.1873(8) 0.219(6) Uani 1 1 d . . .
C20 C 0.5836(7) 0.1471(8) 0.1930(6) 0.149(5) Uani 1 1 d . . .
C21 C 0.5817(7) 0.2337(7) 0.1958(5) 0.159(4) Uani 1 1 d U . .
H21A H 0.5673 0.2568 0.1531 0.239 Uiso 1 1 calc R . .
H21B H 0.6284 0.2547 0.2231 0.239 Uiso 1 1 calc R . .
H21C H 0.5478 0.2506 0.2131 0.239 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 O1 1.942(2) . ?
Mn1 O1 1.942(2) 7_565 ?
Mn1 O2 1.963(2) 7_565 ?
Mn1 O2 1.963(2) . ?
Mn1 O4 2.197(2) . ?
Mn1 O4 2.197(2) 7_565 ?
Mn2 O3 1.867(3) . ?
Mn2 O5 1.876(3) . ?
Mn2 O4 2.143(2) . ?
Mn2 N1 2.187(3) . ?
Mn2 N2 2.303(3) . ?
Mn2 N3 2.330(3) . ?
Mn2 O2 2.337(2) . ?
Mn3 O3 2.103(3) . ?
Mn3 N4 2.154(3) . ?
Mn3 O6 2.185(6) . ?
Mn3 N9 2.188(3) . ?
Mn3 O4 2.210(2) . ?
Mn3 O6' 2.257(8) . ?
Mn3 O1 2.305(2) . ?
Mn4 O5 2.101(3) 7_565 ?
Mn4 N7 2.176(3) . ?
Mn4 N4 2.192(3) . ?
Mn4 O1 2.211(2) . ?
Mn4 N10 2.239(3) . ?
Mn4 O2 2.285(2) 7_565 ?
Cl1 O8 1.362(13) . ?
Cl1 O6 1.390(9) . ?
Cl1 O7 1.450(12) . ?
Cl1 O9 1.483(11) . ?
Cl1' O7' 1.367(14) . ?
Cl1' O9' 1.381(13) . ?
Cl1' O6' 1.441(11) . ?
Cl1' O8' 1.505(19) . ?
O2 C8 1.431(4) . ?
O2 Mn4 2.285(2) 7_565 ?
O3 C10 1.434(4) . ?
O4 C13 1.430(4) . ?
O5 C15 1.427(4) . ?
O5 Mn4 2.101(3) 7_565 ?
N1 C5 1.333(5) . ?
N1 C1 1.342(5) . ?
N2 C6 1.477(5) . ?
N2 C7 1.484(5) . ?
N2 C9 1.491(5) . ?
N3 C12 1.471(5) . ?
N3 C11 1.476(5) . ?
N3 C14 1.481(5) . ?
N4 N5 1.204(4) . ?
N5 N6 1.130(5) . ?
N7 N8 1.181(3) . ?
N8 N7 1.181(3) 2_655 ?
N9 C16 1.129(6) . ?
N10 C18 1.126(5) . ?
C1 C2 1.379(5) . ?
C1 C6 1.502(5) . ?
C2 C3 1.380(6) . ?
C3 C4 1.373(6) . ?
C4 C5 1.378(5) . ?
C5 C11 1.512(5) . ?
C7 C8 1.502(5) . ?
C9 C10 1.508(6) . ?
C12 C13 1.505(5) . ?
C14 C15 1.524(6) . ?
C16 C17 1.474(7) . ?
C18 C19 1.456(6) . ?
Cl2 O13 1.415(4) . ?
Cl2 O11 1.417(4) . ?
Cl2 O10 1.418(3) . ?
Cl2 O12 1.426(3) . ?
N11 C20 1.091(14) . ?
C20 C21 1.393(15) . ?

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 O1 179.998(1) . 7_565 ?
O1 Mn1 O2 84.93(10) . 7_565 ?
O1 Mn1 O2 95.07(10) 7_565 7_565 ?
O1 Mn1 O2 95.07(10) . . ?
O1 Mn1 O2 84.93(10) 7_565 . ?
O2 Mn1 O2 180.0 7_565 . ?
O1 Mn1 O4 84.02(9) . . ?
O1 Mn1 O4 95.98(9) 7_565 . ?
O2 Mn1 O4 100.29(9) 7_565 . ?
O2 Mn1 O4 79.71(9) . . ?
O1 Mn1 O4 95.98(9) . 7_565 ?
O1 Mn1 O4 84.02(9) 7_565 7_565 ?
O2 Mn1 O4 79.71(9) 7_565 7_565 ?
O2 Mn1 O4 100.29(9) . 7_565 ?
O4 Mn1 O4 180.0 . 7_565 ?
O3 Mn2 O5 178.64(12) . . ?
O3 Mn2 O4 79.87(10) . . ?
O5 Mn2 O4 99.38(11) . . ?
O3 Mn2 N1 89.95(12) . . ?
O5 Mn2 N1 91.32(12) . . ?
O4 Mn2 N1 144.23(11) . . ?
O3 Mn2 N2 80.14(12) . . ?
O5 Mn2 N2 99.74(12) . . ?
O4 Mn2 N2 136.76(10) . . ?
N1 Mn2 N2 73.25(11) . . ?
O3 Mn2 N3 101.74(12) . . ?
O5 Mn2 N3 79.13(11) . . ?
O4 Mn2 N3 76.02(10) . . ?
N1 Mn2 N3 72.65(11) . . ?
N2 Mn2 N3 145.84(11) . . ?
O3 Mn2 O2 101.61(10) . . ?
O5 Mn2 O2 77.07(10) . . ?
O4 Mn2 O2 73.07(9) . . ?
N1 Mn2 O2 142.68(10) . . ?
N2 Mn2 O2 74.00(10) . . ?
N3 Mn2 O2 136.87(10) . . ?
O3 Mn3 N4 166.92(12) . . ?
O3 Mn3 O6 100.2(2) . . ?
N4 Mn3 O6 79.9(2) . . ?
O3 Mn3 N9 93.29(12) . . ?
N4 Mn3 N9 99.72(13) . . ?
O6 Mn3 N9 95.8(2) . . ?
O3 Mn3 O4 73.50(9) . . ?
N4 Mn3 O4 93.99(11) . . ?
O6 Mn3 O4 109.1(2) . . ?
N9 Mn3 O4 153.34(12) . . ?
O3 Mn3 O6' 76.9(2) . . ?
N4 Mn3 O6' 103.7(2) . . ?
O6 Mn3 O6' 23.8(2) . . ?
N9 Mn3 O6' 92.4(3) . . ?
O4 Mn3 O6' 106.4(3) . . ?
O3 Mn3 O1 101.00(10) . . ?
N4 Mn3 O1 79.08(10) . . ?
O6 Mn3 O1 158.72(19) . . ?
N9 Mn3 O1 84.40(11) . . ?
O4 Mn3 O1 75.85(9) . . ?
O6' Mn3 O1 176.1(3) . . ?
O5 Mn4 N7 97.39(12) 7_565 . ?
O5 Mn4 N4 159.54(12) 7_565 . ?
N7 Mn4 N4 102.32(14) . . ?
O5 Mn4 O1 103.44(10) 7_565 . ?
N7 Mn4 O1 95.06(11) . . ?
N4 Mn4 O1 80.36(10) . . ?
O5 Mn4 N10 90.65(13) 7_565 . ?
N7 Mn4 N10 85.62(13) . . ?
N4 Mn4 N10 85.49(13) . . ?
O1 Mn4 N10 165.65(12) . . ?
O5 Mn4 O2 74.19(9) 7_565 7_565 ?
N7 Mn4 O2 161.65(11) . 7_565 ?
N4 Mn4 O2 88.33(11) . 7_565 ?
O1 Mn4 O2 71.77(9) . 7_565 ?
N10 Mn4 O2 110.36(12) . 7_565 ?
O8 Cl1 O6 112.3(9) . . ?
O8 Cl1 O7 110.1(8) . . ?
O6 Cl1 O7 109.7(7) . . ?
O8 Cl1 O9 111.0(9) . . ?
O6 Cl1 O9 105.1(6) . . ?
O7 Cl1 O9 108.5(7) . . ?
O7' Cl1' O9' 112.1(10) . . ?
O7' Cl1' O6' 109.4(8) . . ?
O9' Cl1' O6' 109.5(9) . . ?
O7' Cl1' O8' 100.2(11) . . ?
O9' Cl1' O8' 116.2(11) . . ?
O6' Cl1' O8' 109.0(9) . . ?
Mn1 O1 Mn4 103.26(10) . . ?
Mn1 O1 Mn3 102.35(10) . . ?
Mn4 O1 Mn3 96.54(9) . . ?
C8 O2 Mn1 124.1(2) . . ?
C8 O2 Mn4 117.3(2) . 7_565 ?
Mn1 O2 Mn4 99.98(10) . 7_565 ?
C8 O2 Mn2 113.0(2) . . ?
Mn1 O2 Mn2 104.11(10) . . ?
Mn4 O2 Mn2 93.26(9) 7_565 . ?
C10 O3 Mn2 117.1(2) . . ?
C10 O3 Mn3 129.8(2) . . ?
Mn2 O3 Mn3 109.64(12) . . ?
C13 O4 Mn2 114.9(2) . . ?
C13 O4 Mn1 121.8(2) . . ?
Mn2 O4 Mn1 103.09(10) . . ?
C13 O4 Mn3 118.6(2) . . ?
Mn2 O4 Mn3 96.49(9) . . ?
Mn1 O4 Mn3 97.62(9) . . ?
C15 O5 Mn2 117.0(2) . . ?
C15 O5 Mn4 126.7(2) . 7_565 ?
Mn2 O5 Mn4 115.18(12) . 7_565 ?
Cl1 O6 Mn3 137.7(5) . . ?
Cl1' O6' Mn3 138.7(6) . . ?
C5 N1 C1 119.6(3) . . ?
C5 N1 Mn2 120.2(2) . . ?
C1 N1 Mn2 120.2(2) . . ?
C6 N2 C7 109.8(3) . . ?
C6 N2 C9 112.5(3) . . ?
C7 N2 C9 110.0(3) . . ?
C6 N2 Mn2 109.4(2) . . ?
C7 N2 Mn2 110.9(2) . . ?
C9 N2 Mn2 104.2(2) . . ?
C12 N3 C11 111.4(3) . . ?
C12 N3 C14 110.9(3) . . ?
C11 N3 C14 113.0(3) . . ?
C12 N3 Mn2 108.0(2) . . ?
C11 N3 Mn2 108.4(2) . . ?
C14 N3 Mn2 104.8(2) . . ?
N5 N4 Mn3 132.3(3) . . ?
N5 N4 Mn4 125.9(3) . . ?
Mn3 N4 Mn4 101.72(12) . . ?
N6 N5 N4 178.4(5) . . ?
N8 N7 Mn4 128.7(2) . . ?
N7 N8 N7 179.2(6) . 2_655 ?
C16 N9 Mn3 162.9(4) . . ?
C18 N10 Mn4 155.9(4) . . ?
N1 C1 C2 121.8(4) . . ?
N1 C1 C6 115.0(3) . . ?
C2 C1 C6 123.1(4) . . ?
C1 C2 C3 118.2(4) . . ?
C4 C3 C2 120.1(4) . . ?
C3 C4 C5 118.7(4) . . ?
N1 C5 C4 121.7(4) . . ?
N1 C5 C11 115.4(3) . . ?
C4 C5 C11 122.9(3) . . ?
N2 C6 C1 111.2(3) . . ?
N2 C7 C8 111.2(3) . . ?
O2 C8 C7 109.3(3) . . ?
N2 C9 C10 110.4(3) . . ?
O3 C10 C9 108.2(3) . . ?
N3 C11 C5 110.0(3) . . ?
N3 C12 C13 109.6(3) . . ?
O4 C13 C12 109.6(3) . . ?
N3 C14 C15 110.9(3) . . ?
O5 C15 C14 108.1(3) . . ?
N9 C16 C17 177.9(6) . . ?
N10 C18 C19 178.3(5) . . ?
O13 Cl2 O11 107.5(3) . . ?
O13 Cl2 O10 109.7(3) . . ?
O11 Cl2 O10 109.0(3) . . ?
O13 Cl2 O12 110.2(2) . . ?
O11 Cl2 O12 109.8(2) . . ?
O10 Cl2 O12 110.5(2) . . ?
N11 C20 C21 175.9(17) . . ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        27.50
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         0.934
_refine_diff_density_min         -0.731
_refine_diff_density_rms         0.112
