# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2015

####################################################################### 
# 
# 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_1
_database_code_depnum_ccdc_archive 'CCDC 1433204'
_audit_update_record             
;
2015-10-26 deposited with the CCDC.
2015-11-13 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C72 H28 B8 Co10 In2 O68'
_chemical_formula_weight         2886.36

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'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
In In -0.7276 1.3100 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   11.9109(3)
_cell_length_b                   14.3578(3)
_cell_length_c                   22.2830(6)
_cell_angle_alpha                90
_cell_angle_beta                 113.733(2)
_cell_angle_gamma                90
_cell_volume                     3488.44(16)
_cell_formula_units_Z            1
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       block
_exptl_crystal_colour            purple
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.374
_exptl_crystal_F_000             1412
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.340
_exptl_crystal_size_mid          0.330
_exptl_crystal_size_min          0.310
_exptl_absorpt_coefficient_mu    1.561
_shelx_estimated_absorpt_T_min   0.619
_shelx_estimated_absorpt_T_max   0.643
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Gemini E'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            13223
_diffrn_reflns_av_unetI/netI     0.0562
_diffrn_reflns_av_R_equivalents  0.0348
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_theta_min         3.008
_diffrn_reflns_theta_max         25.019
_diffrn_reflns_theta_full        25.019
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             6134
_reflns_number_gt                4924
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0490P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         6134
_refine_ls_number_parameters     373
_refine_ls_number_restraints     18
_refine_ls_R_factor_all          0.0445
_refine_ls_R_factor_gt           0.0346
_refine_ls_wR_factor_ref         0.0937
_refine_ls_wR_factor_gt          0.0910
_refine_ls_goodness_of_fit_ref   0.976
_refine_ls_restrained_S_all      0.980
_refine_ls_shift/su_max          0.002
_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Co1 Co 1.01772(4) 0.78927(3) 0.77255(2) 0.01254(12) Uani 1 1 d . . . . .
Co2 Co 0.81761(4) 0.66455(3) 0.80310(2) 0.02085(13) Uani 1 1 d . . . . .
Co3 Co 1.18628(3) 0.92465(2) 0.72939(2) 0.01696(10) Uani 0.5 1 d . . P A 1
In1 In 1.18628(3) 0.92465(2) 0.72939(2) 0.01696(10) Uani 0.5 1 d . . P A 2
O1 O 0.8864(2) 0.87519(17) 0.77436(14) 0.0335(7) Uani 1 1 d . . . . .
O2 O 0.7535(2) 0.79477(16) 0.80194(13) 0.0286(6) Uani 1 1 d . . . . .
O3 O 0.7433(2) 1.28836(16) 0.77143(13) 0.0303(6) Uani 1 1 d . . . . .
O4 O 0.8616(2) 1.20007(17) 0.73751(14) 0.0330(7) Uani 1 1 d . . . . .
O5 O 0.3715(2) 0.96968(17) 0.77531(12) 0.0272(6) Uani 1 1 d . . . . .
O6 O 0.3629(2) 1.12307(17) 0.75445(14) 0.0337(7) Uani 1 1 d . . . . .
O7 O 1.1876(3) 0.39501(17) 1.11693(12) 0.0299(6) Uani 1 1 d . . . . .
O8 O 1.1894(2) 0.54947(17) 1.13532(11) 0.0278(6) Uani 1 1 d . . . . .
O9 O 1.0016(2) 0.86112(16) 0.68300(11) 0.0226(6) Uani 1 1 d . . . . .
O10 O 0.8403(16) 0.7869(6) 0.6062(4) 0.044(3) Uani 0.73(4) 1 d . U P B 1
O10' O 0.885(3) 0.7779(19) 0.6045(12) 0.044(3) Uani 0.27(4) 1 d . . P B 2
O11 O 1.0088(2) 0.71008(16) 0.85124(11) 0.0231(6) Uani 1 1 d . . . . .
O12 O 1.1307(10) 0.7632(9) 0.9474(7) 0.046(2) Uani 0.5 1 d . U P C 1
O12' O 1.1773(9) 0.7511(9) 0.9411(7) 0.046(2) Uani 0.5 1 d . . P C 2
O13 O 1.1344(3) 1.05123(18) 0.84514(12) 0.0411(8) Uani 1 1 d . . . . .
O14 O 1.1503(2) 0.89220(16) 0.81261(11) 0.0222(6) Uani 1 1 d . . . . .
O15 O 1.1192(17) 0.9331(7) 0.9105(5) 0.051(3) Uani 0.69(3) 1 d . U P D 1
H15 H 1.1132 0.8765 0.9130 0.076 Uiso 0.69(3) 1 d R U P D 1
O15' O 1.173(3) 0.9322(17) 0.9168(12) 0.051(3) Uani 0.31(3) 1 d . . P D 2
H15' H 1.1917 0.8769 0.9220 0.076 Uiso 0.31(3) 1 calc R U P D 2
O16 O 0.8749(2) 0.55714(16) 0.76445(11) 0.0202(5) Uani 1 1 d . . . . .
O17 O 0.8726(2) 0.69344(16) 0.70882(12) 0.0259(6) Uani 1 1 d . . . . .
B1 B 1.1407(5) 0.9547(3) 0.8552(2) 0.0382(12) Uani 1 1 d . . . . .
B2 B 0.8720(4) 0.5964(3) 0.7095(2) 0.0227(9) Uani 1 1 d . . . . .
C1 C 0.7935(3) 0.8681(2) 0.78698(18) 0.0227(8) Uani 1 1 d . . . . .
C2 C 0.7790(3) 1.2119(2) 0.75871(18) 0.0243(8) Uani 1 1 d . . . . .
C3 C 0.4163(3) 1.0463(2) 0.76740(17) 0.0194(8) Uani 1 1 d . . . . .
C4 C 0.7256(3) 0.9581(2) 0.78261(18) 0.0234(8) Uani 1 1 d . . . . .
C5 C 0.7784(3) 1.0405(2) 0.77418(18) 0.0269(9) Uani 1 1 d . . . . .
H5 H 0.8556 1.0392 0.7730 0.032 Uiso 1 1 d R U . . .
C6 C 0.7179(3) 1.1246(2) 0.76749(19) 0.0269(9) Uani 1 1 d . . . . .
C7 C 0.6023(3) 1.1263(2) 0.76711(18) 0.0266(9) Uani 1 1 d . . . . .
H7 H 0.5611 1.1827 0.7622 0.032 Uiso 1 1 d R U . . .
C8 C 0.5464(3) 1.0447(2) 0.77395(17) 0.0221(8) Uani 1 1 d . . . . .
C9 C 0.6090(3) 0.9597(2) 0.78225(17) 0.0241(8) Uani 1 1 d . . . . .
H9 H 0.5725 0.9048 0.7875 0.029 Uiso 1 1 d R U . . .
C10 C 1.1798(3) 0.4790(3) 1.09978(17) 0.0217(8) Uani 1 1 d . . . . .
C11 C 0.9169(4) 0.8548(3) 0.62523(18) 0.0287(9) Uani 1 1 d . . . . .
C12 C 1.0878(4) 0.6968(3) 0.90913(19) 0.0305(9) Uani 1 1 d . . . . .
C13 C 1.1560(3) 0.4963(2) 1.02898(16) 0.0196(8) Uani 1 1 d . . . . .
C14 C 1.1399(3) 0.5862(2) 1.00332(16) 0.0205(8) Uani 1 1 d . . . . .
H14 H 1.1518 0.6371 1.0311 0.025 Uiso 1 1 d R U . . .
C15 C 1.1061(3) 0.6007(2) 0.93664(18) 0.0243(8) Uani 1 1 d . . . . .
C16 C 1.0883(3) 0.5244(2) 0.89545(17) 0.0222(8) Uani 1 1 d . . . . .
H16 H 1.0651 0.5337 0.8507 0.027 Uiso 1 1 d R U . . .
C17 C 1.1048(3) 0.4345(2) 0.92035(16) 0.0217(8) Uani 1 1 d . . . . .
C18 C 1.1405(3) 0.4209(2) 0.98699(18) 0.0253(9) Uani 1 1 d . . . . .
H18 H 1.1544 0.3607 1.0039 0.030 Uiso 1 1 d R U . . .


_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
Co1 O4 2.004(2) 2_746 ?
Co1 O1 2.005(2) . ?
Co1 O14 2.083(2) . ?
Co1 O11 2.128(2) . ?
Co1 O9 2.185(2) . ?
Co1 O17 2.219(2) . ?
Co2 O7 2.000(2) 3_767 ?
Co2 O16 2.015(2) . ?
Co2 O2 2.016(2) . ?
Co2 O6 2.098(3) 2_646 ?
Co2 O11 2.191(3) . ?
Co3 O16 2.061(2) 2_756 ?
Co3 O14 2.116(2) . ?
Co3 O5 2.125(2) 1_655 ?
Co3 O3 2.132(2) 2_746 ?
Co3 O8 2.144(2) 4_575 ?
Co3 O9 2.216(2) . ?
In1 O16 2.061(2) 2_756 ?
In1 O14 2.116(2) . ?
In1 O5 2.125(2) 1_655 ?
In1 O3 2.132(2) 2_746 ?
In1 O8 2.144(2) 4_575 ?
In1 O9 2.216(2) . ?
O1 C1 1.251(4) . ?
O2 C1 1.255(4) . ?
O3 C2 1.250(4) . ?
O3 In1 2.132(2) 2_756 ?
O3 Co3 2.132(2) 2_756 ?
O4 C2 1.262(4) . ?
O4 Co1 2.004(2) 2_756 ?
O5 C3 1.266(4) . ?
O5 In1 2.125(2) 1_455 ?
O5 Co3 2.125(2) 1_455 ?
O6 C3 1.247(4) . ?
O6 Co2 2.098(3) 2_656 ?
O7 C10 1.257(4) . ?
O7 Co2 2.000(2) 3_767 ?
O8 C10 1.261(4) . ?
O8 In1 2.144(2) 4_576 ?
O8 Co3 2.144(2) 4_576 ?
O9 C11 1.279(4) . ?
O10 C11 1.285(11) . ?
O10' C11 1.20(3) . ?
O11 C12 1.268(4) . ?
O12 C12 1.243(14) . ?
O12' C12 1.281(14) . ?
O13 B2 1.355(5) 2_756 ?
O13 B1 1.401(5) . ?
O14 B1 1.343(5) . ?
O15 B1 1.391(12) . ?
O15 H15 0.8201 . ?
O15' B1 1.31(2) . ?
O15' H15' 0.8200 . ?
O16 B2 1.335(5) . ?
O16 In1 2.061(2) 2_746 ?
O16 Co3 2.061(2) 2_746 ?
O17 B2 1.393(5) . ?
B2 O13 1.355(5) 2_746 ?
C1 C4 1.506(5) . ?
C2 C6 1.502(5) . ?
C3 C8 1.498(5) . ?
C4 C9 1.386(5) . ?
C4 C5 1.388(5) . ?
C5 C6 1.383(5) . ?
C5 H5 0.9300 . ?
C6 C7 1.374(5) . ?
C7 C8 1.385(5) . ?
C7 H7 0.9300 . ?
C8 C9 1.403(5) . ?
C9 H9 0.9300 . ?
C10 C13 1.507(5) . ?
C11 C17 1.482(5) 2_756 ?
C12 C15 1.491(5) . ?
C13 C14 1.394(5) . ?
C13 C18 1.394(5) . ?
C14 C15 1.390(5) . ?
C14 H14 0.9300 . ?
C15 C16 1.390(5) . ?
C16 C17 1.387(5) . ?
C16 H16 0.9300 . ?
C17 C18 1.384(5) . ?
C17 C11 1.482(5) 2_746 ?
C18 H18 0.9300 . ?

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
O4 Co1 O1 174.78(12) 2_746 . ?
O4 Co1 O14 92.70(10) 2_746 . ?
O1 Co1 O14 91.02(10) . . ?
O4 Co1 O11 91.53(10) 2_746 . ?
O1 Co1 O11 90.81(10) . . ?
O14 Co1 O11 107.85(9) . . ?
O4 Co1 O9 90.17(10) 2_746 . ?
O1 Co1 O9 86.86(10) . . ?
O14 Co1 O9 80.17(9) . . ?
O11 Co1 O9 171.70(9) . . ?
O4 Co1 O17 86.64(10) 2_746 . ?
O1 Co1 O17 88.92(11) . . ?
O14 Co1 O17 167.22(9) . . ?
O11 Co1 O17 84.93(9) . . ?
O9 Co1 O17 87.06(9) . . ?
O7 Co2 O16 101.01(10) 3_767 . ?
O7 Co2 O2 105.10(10) 3_767 . ?
O16 Co2 O2 153.67(10) . . ?
O7 Co2 O6 91.82(11) 3_767 2_646 ?
O16 Co2 O6 87.79(10) . 2_646 ?
O2 Co2 O6 88.04(10) . 2_646 ?
O7 Co2 O11 95.18(10) 3_767 . ?
O16 Co2 O11 88.48(9) . . ?
O2 Co2 O11 92.48(10) . . ?
O6 Co2 O11 172.59(10) 2_646 . ?
O16 Co3 O14 86.74(9) 2_756 . ?
O16 Co3 O5 90.78(9) 2_756 1_655 ?
O14 Co3 O5 100.50(9) . 1_655 ?
O16 Co3 O3 176.80(10) 2_756 2_746 ?
O14 Co3 O3 91.41(9) . 2_746 ?
O5 Co3 O3 86.98(10) 1_655 2_746 ?
O16 Co3 O8 92.92(9) 2_756 4_575 ?
O14 Co3 O8 169.80(10) . 4_575 ?
O5 Co3 O8 89.69(10) 1_655 4_575 ?
O3 Co3 O8 89.36(10) 2_746 4_575 ?
O16 Co3 O9 95.72(9) 2_756 . ?
O14 Co3 O9 78.75(9) . . ?
O5 Co3 O9 173.39(9) 1_655 . ?
O3 Co3 O9 86.47(9) 2_746 . ?
O8 Co3 O9 91.15(9) 4_575 . ?
O16 In1 O14 86.74(9) 2_756 . ?
O16 In1 O5 90.78(9) 2_756 1_655 ?
O14 In1 O5 100.50(9) . 1_655 ?
O16 In1 O3 176.80(10) 2_756 2_746 ?
O14 In1 O3 91.41(9) . 2_746 ?
O5 In1 O3 86.98(10) 1_655 2_746 ?
O16 In1 O8 92.92(9) 2_756 4_575 ?
O14 In1 O8 169.80(10) . 4_575 ?
O5 In1 O8 89.69(10) 1_655 4_575 ?
O3 In1 O8 89.36(10) 2_746 4_575 ?
O16 In1 O9 95.72(9) 2_756 . ?
O14 In1 O9 78.75(9) . . ?
O5 In1 O9 173.39(9) 1_655 . ?
O3 In1 O9 86.47(9) 2_746 . ?
O8 In1 O9 91.15(9) 4_575 . ?
C1 O1 Co1 136.3(2) . . ?
C1 O2 Co2 126.8(2) . . ?
C2 O3 In1 129.2(2) . 2_756 ?
C2 O3 Co3 129.2(2) . 2_756 ?
C2 O4 Co1 131.1(2) . 2_756 ?
C3 O5 In1 127.7(2) . 1_455 ?
C3 O5 Co3 127.7(2) . 1_455 ?
C3 O6 Co2 134.0(2) . 2_656 ?
C10 O7 Co2 131.0(2) . 3_767 ?
C10 O8 In1 136.0(2) . 4_576 ?
C10 O8 Co3 136.0(2) . 4_576 ?
C11 O9 Co1 129.0(2) . . ?
C11 O9 Co3 137.0(2) . . ?
Co1 O9 Co3 93.58(9) . . ?
C11 O9 In1 137.0(2) . . ?
Co1 O9 In1 93.58(9) . . ?
C12 O11 Co1 131.0(2) . . ?
C12 O11 Co2 130.7(2) . . ?
Co1 O11 Co2 98.21(10) . . ?
B2 O13 B1 126.7(3) 2_756 . ?
B1 O14 Co1 120.8(3) . . ?
B1 O14 Co3 125.2(3) . . ?
Co1 O14 Co3 99.59(9) . . ?
B1 O14 In1 125.2(3) . . ?
Co1 O14 In1 99.59(9) . . ?
B1 O15 H15 109.5 . . ?
B1 O15' H15' 109.5 . . ?
B2 O16 Co2 100.4(2) . . ?
B2 O16 In1 124.8(2) . 2_746 ?
Co2 O16 In1 119.22(11) . 2_746 ?
B2 O16 Co3 124.8(2) . 2_746 ?
Co2 O16 Co3 119.22(11) . 2_746 ?
B2 O17 Co1 128.2(2) . . ?
O15' B1 O14 120.3(12) . . ?
O14 B1 O15 125.1(6) . . ?
O15' B1 O13 112.7(11) . . ?
O14 B1 O13 124.2(4) . . ?
O15 B1 O13 110.2(5) . . ?
O16 B2 O13 126.4(4) . 2_746 ?
O16 B2 O17 115.7(3) . . ?
O13 B2 O17 117.9(3) 2_746 . ?
O1 C1 O2 126.3(3) . . ?
O1 C1 C4 114.6(3) . . ?
O2 C1 C4 119.0(3) . . ?
O3 C2 O4 126.2(3) . . ?
O3 C2 C6 118.4(3) . . ?
O4 C2 C6 115.3(3) . . ?
O6 C3 O5 126.6(3) . . ?
O6 C3 C8 116.6(3) . . ?
O5 C3 C8 116.8(3) . . ?
C9 C4 C5 119.6(3) . . ?
C9 C4 C1 121.7(3) . . ?
C5 C4 C1 118.6(3) . . ?
C6 C5 C4 120.9(3) . . ?
C6 C5 H5 119.6 . . ?
C4 C5 H5 119.6 . . ?
C7 C6 C5 119.6(3) . . ?
C7 C6 C2 121.5(3) . . ?
C5 C6 C2 118.9(3) . . ?
C6 C7 C8 120.6(3) . . ?
C6 C7 H7 119.7 . . ?
C8 C7 H7 119.7 . . ?
C7 C8 C9 119.8(3) . . ?
C7 C8 C3 120.0(3) . . ?
C9 C8 C3 120.0(3) . . ?
C4 C9 C8 119.5(3) . . ?
C4 C9 H9 120.2 . . ?
C8 C9 H9 120.2 . . ?
O7 C10 O8 127.0(3) . . ?
O7 C10 C13 115.9(3) . . ?
O8 C10 C13 117.1(3) . . ?
O10' C11 O9 116.9(13) . . ?
O9 C11 O10 123.6(5) . . ?
O10' C11 C17 120.4(12) . 2_756 ?
O9 C11 C17 119.0(3) . 2_756 ?
O10 C11 C17 117.0(5) . 2_756 ?
O12 C12 O11 121.0(7) . . ?
O11 C12 O12' 125.8(7) . . ?
O12 C12 C15 118.4(7) . . ?
O11 C12 C15 118.9(3) . . ?
O12' C12 C15 112.6(7) . . ?
C14 C13 C18 119.0(3) . . ?
C14 C13 C10 121.3(3) . . ?
C18 C13 C10 119.5(3) . . ?
C15 C14 C13 120.6(3) . . ?
C15 C14 H14 119.7 . . ?
C13 C14 H14 119.7 . . ?
C16 C15 C14 119.4(3) . . ?
C16 C15 C12 120.0(3) . . ?
C14 C15 C12 120.6(3) . . ?
C17 C16 C15 120.6(3) . . ?
C17 C16 H16 119.7 . . ?
C15 C16 H16 119.7 . . ?
C18 C17 C16 119.6(3) . . ?
C18 C17 C11 121.3(3) . 2_746 ?
C16 C17 C11 119.1(3) . 2_746 ?
C17 C18 C13 120.7(3) . . ?
C17 C18 H18 119.6 . . ?
C13 C18 H18 119.7 . . ?

_refine_diff_density_max         0.758
_refine_diff_density_min         -0.628
_refine_diff_density_rms         0.089


# start Validation Reply Form
_vrf_PLAT602_1                   
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PROBLEM: VERY LARGE Solvent Accessible VOID(S) in Structure        ! Info 
RESPONSE: No high peaks have been observed on electron density difference map although empty channels were observed in the structure.
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# end Validation Reply Form
