# Electronic Supplementary Material (ESI) for Energy & Environmental Science.
# This journal is © The Royal Society of Chemistry 2017

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
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# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
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data_mo_2017094_0m
_database_code_depnum_ccdc_archive 'CCDC 1545755'
_audit_update_record             
;
2017-04-24 deposited with the CCDC.
2017-11-16 downloaded from the CCDC.
;
_audit_creation_date             2017-02-24
_audit_creation_method           
;
Olex2 1.2-alpha
(compiled 2017.02.06 svn.r3384 for OlexSys, GUI svn.r5312)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C24 H60 Cl6 Mg4 O12, 2(C12 H4 B F24 O4)'
_chemical_formula_sum            'C48 H68 B2 Cl6 F48 Mg4 O20'
_chemical_formula_weight         2208.58
_chemical_melting_point          ?
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'
B B 0.0013 0.0007 '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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mg Mg 0.0486 0.0363 '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'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_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                   36.905(5)
_cell_length_b                   13.215(2)
_cell_length_c                   20.962(3)
_cell_angle_alpha                90
_cell_angle_beta                 121.440(3)
_cell_angle_gamma                90
_cell_volume                     8722(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    2017
_cell_measurement_temperature    173
_cell_measurement_theta_max      21.605
_cell_measurement_theta_min      2.538
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.388
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6675
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2008/1 (Bruker,2008) was used for absorption correction. wR2(int) was 0.0565 before and 0.0422 after correction. The Ratio of minimum to maximum transmission is 0.8953. The λ/2 correction factor is 0.0015.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.682
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             4432
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.12
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0498
_diffrn_reflns_av_unetI/netI     0.0530
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_limit_h_max       47
_diffrn_reflns_limit_h_min       -44
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            37221
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.545
_diffrn_reflns_theta_min         1.671
_diffrn_ambient_temperature      173
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6532
_reflns_number_total             9995
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v7.68A (Bruker, 2009)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v7.68A (Bruker, 2009)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.627
_refine_diff_density_min         -0.547
_refine_diff_density_rms         0.072
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     583
_refine_ls_number_reflns         9995
_refine_ls_number_restraints     12
_refine_ls_R_factor_all          0.0895
_refine_ls_R_factor_gt           0.0538
_refine_ls_restrained_S_all      1.056
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0894P)²+4.9424P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1426
_refine_ls_wR_factor_ref         0.1683
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(F18) \\sim Ueq, Uanis(F17) \\sim Ueq: with sigma of 0.005 and sigma for
terminal atoms of 0.01
3.a Ternary CH refined with riding coordinates:
 C14(H14), C17(H17), C22(H22), C20(H20)
3.b Secondary CH2 refined with riding coordinates:
 C6(H6A,H6B), C3(H3A,H3B), C7(H7A,H7B), C11(H11A,H11B), C2(H2A,H2B), C10(H10A,
 H10B)
3.c Idealised Me refined as rotating group:
 C4(H4A,H4B,H4C), C8(H8A,H8B,H8C), C5(H5A,H5B,H5C), C1(H1A,H1B,H1C), C12(H12A,
 H12B,H12C), C9(H9A,H9B,H9C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
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
Mg2 Mg 0.54788(3) 0.39648(7) 0.24854(5) 0.0293(2) Uani 1 1 d . . . . .
Mg1 Mg 0.57935(3) 0.60330(7) 0.18045(5) 0.0330(2) Uani 1 1 d . . . . .
O7 O 0.80007(6) 0.50938(14) 0.42431(10) 0.0280(4) Uani 1 1 d . . . . .
O9 O 0.84234(6) 0.66451(14) 0.47227(10) 0.0290(4) Uani 1 1 d . . . . .
O8 O 0.87503(6) 0.50747(14) 0.48070(11) 0.0297(4) Uani 1 1 d . . . . .
O10 O 0.82930(6) 0.59054(14) 0.35993(10) 0.0312(4) Uani 1 1 d . . . . .
O1 O 0.56160(7) 0.24045(15) 0.24534(12) 0.0401(5) Uani 1 1 d . . . . .
F21 F 0.75012(7) 0.65990(18) 0.25575(12) 0.0641(6) Uani 1 1 d . . . . .
F24 F 0.85293(8) 0.40668(15) 0.33048(12) 0.0611(6) Uani 1 1 d . . . . .
F3 F 0.74522(7) 0.49808(19) 0.47936(13) 0.0677(7) Uani 1 1 d . . . . .
O2 O 0.61346(6) 0.38213(16) 0.33650(11) 0.0381(5) Uani 1 1 d . . . . .
F2 F 0.80676(8) 0.55540(18) 0.55954(12) 0.0669(7) Uani 1 1 d . . . . .
O4 O 0.59803(7) 0.75445(16) 0.22293(12) 0.0419(5) Uani 1 1 d . . . . .
F20 F 0.74605(8) 0.5606(2) 0.17139(12) 0.0782(8) Uani 1 1 d . . . . .
F5 F 0.74146(7) 0.35082(17) 0.38465(13) 0.0687(7) Uani 1 1 d . . . . .
F13 F 0.81390(7) 0.80977(18) 0.53066(11) 0.0638(6) Uani 1 1 d . . . . .
F19 F 0.79432(8) 0.67365(18) 0.21966(13) 0.0709(7) Uani 1 1 d . . . . .
F23 F 0.80260(9) 0.4111(2) 0.21550(13) 0.0859(9) Uani 1 1 d . . . . .
F6 F 0.79863(9) 0.31120(16) 0.39158(16) 0.0774(7) Uani 1 1 d . . . . .
F22 F 0.85260(9) 0.5204(2) 0.25854(15) 0.0787(8) Uani 1 1 d . . . . .
F4 F 0.78725(8) 0.26339(16) 0.47647(14) 0.0737(7) Uani 1 1 d . . . . .
O3 O 0.64353(6) 0.58766(17) 0.26285(12) 0.0418(5) Uani 1 1 d . . . . .
F16 F 0.88133(9) 0.7864(2) 0.42255(18) 0.0909(9) Uani 1 1 d . . . . .
F14 F 0.76296(7) 0.7286(2) 0.44244(15) 0.0793(8) Uani 1 1 d . . . . .
F11 F 0.98128(7) 0.5808(2) 0.54542(18) 0.0925(9) Uani 1 1 d . . . . .
O5 O 0.52217(7) 0.65790(18) 0.09101(13) 0.0523(6) Uani 1 1 d . . . . .
F1 F 0.78966(10) 0.4041(2) 0.57021(14) 0.0829(8) Uani 1 1 d . . . . .
F15 F 0.77645(10) 0.8805(2) 0.42493(14) 0.0918(10) Uani 1 1 d . . . . .
O6 O 0.59519(8) 0.63562(19) 0.09810(13) 0.0523(6) Uani 1 1 d . . . . .
F10 F 0.95389(8) 0.4359(2) 0.50493(19) 0.0933(9) Uani 1 1 d . . . . .
F12 F 0.92941(9) 0.5650(3) 0.43556(17) 0.1034(11) Uani 1 1 d . . . . .
F8 F 0.93336(9) 0.4102(3) 0.61056(18) 0.1042(11) Uani 1 1 d . . . . .
F9 F 0.96749(8) 0.5482(3) 0.65702(15) 0.1087(11) Uani 1 1 d . . . . .
F7 F 0.90322(9) 0.5340(3) 0.62886(13) 0.1071(11) Uani 1 1 d . . . . .
C14 C 0.80422(9) 0.4366(2) 0.47491(16) 0.0324(6) Uani 1 1 d . . . . .
H14 H 0.8351 0.4223 0.5096 0.039 Uiso 1 1 calc R . . . .
F18 F 0.87934(10) 0.8593(3) 0.5100(2) 0.1309(15) Uani 1 1 d . U . . .
C17 C 0.91394(9) 0.5525(2) 0.52928(18) 0.0374(7) Uani 1 1 d . . . . .
H17 H 0.9097 0.6272 0.5295 0.045 Uiso 1 1 calc R . . . .
C22 C 0.80225(10) 0.5342(2) 0.29705(16) 0.0353(7) Uani 1 1 d . . . . .
H22 H 0.7846 0.4895 0.3087 0.042 Uiso 1 1 calc R . . . .
C13 C 0.78261(11) 0.3404(2) 0.43179(19) 0.0420(7) Uani 1 1 d . . . . .
C20 C 0.82209(9) 0.7514(2) 0.43208(17) 0.0344(6) Uani 1 1 d . . . . .
H20 H 0.8040 0.7329 0.3780 0.041 Uiso 1 1 calc R . . . .
C19 C 0.79366(11) 0.7931(3) 0.45766(18) 0.0475(9) Uani 1 1 d . . . . .
C23 C 0.82783(12) 0.4684(3) 0.27507(19) 0.0489(9) Uani 1 1 d . . . . .
C6 C 0.66524(11) 0.6794(3) 0.3000(2) 0.0523(9) Uani 1 1 d . . . . .
H6A H 0.6785 0.7104 0.2741 0.063 Uiso 1 1 calc R . . . .
H6B H 0.6878 0.6649 0.3523 0.063 Uiso 1 1 calc R . . . .
C15 C 0.78586(11) 0.4730(3) 0.52044(18) 0.0454(8) Uani 1 1 d . . . . .
C3 C 0.62729(12) 0.2796(3) 0.3543(2) 0.0567(10) Uani 1 1 d . . . . .
H3A H 0.6191 0.2512 0.3887 0.068 Uiso 1 1 calc R . . . .
H3B H 0.6586 0.2757 0.3788 0.068 Uiso 1 1 calc R . . . .
C7 C 0.63307(10) 0.7491(3) 0.29837(17) 0.0469(8) Uani 1 1 d . . . . .
H7A H 0.6235 0.7234 0.3315 0.056 Uiso 1 1 calc R . . . .
H7B H 0.6455 0.8172 0.3160 0.056 Uiso 1 1 calc R . . . .
C16 C 0.92975(12) 0.5108(4) 0.6078(2) 0.0647(12) Uani 1 1 d . . . . .
C4 C 0.63328(12) 0.4438(3) 0.40339(19) 0.0553(9) Uani 1 1 d . . . . .
H4A H 0.6243 0.5144 0.3900 0.083 Uiso 1 1 calc GR . . . .
H4B H 0.6642 0.4395 0.4277 0.083 Uiso 1 1 calc GR . . . .
H4C H 0.6247 0.4195 0.4378 0.083 Uiso 1 1 calc GR . . . .
C24 C 0.77314(12) 0.6069(3) 0.2349(2) 0.0503(9) Uani 1 1 d . . . . .
C11 C 0.56601(16) 0.7061(4) 0.0446(2) 0.0760(13) Uani 1 1 d . . . . .
H11A H 0.5690 0.7079 0.0004 0.091 Uiso 1 1 calc R . . . .
H11B H 0.5716 0.7747 0.0666 0.091 Uiso 1 1 calc R . . . .
C18 C 0.94448(11) 0.5324(3) 0.5037(2) 0.0560(10) Uani 1 1 d . . . . .
B1 B 0.83655(10) 0.5682(2) 0.43432(17) 0.0277(6) Uani 1 1 d . . . . .
C2 C 0.60624(12) 0.2213(3) 0.2820(2) 0.0542(9) Uani 1 1 d . . . . .
H2A H 0.6172 0.2439 0.2502 0.065 Uiso 1 1 calc R . . . .
H2B H 0.6120 0.1481 0.2920 0.065 Uiso 1 1 calc R . . . .
C8 C 0.56738(13) 0.8284(3) 0.2143(3) 0.0647(11) Uani 1 1 d . . . . .
H8A H 0.5451 0.8336 0.1614 0.097 Uiso 1 1 calc GR . . . .
H8B H 0.5813 0.8942 0.2321 0.097 Uiso 1 1 calc GR . . . .
H8C H 0.5548 0.8079 0.2435 0.097 Uiso 1 1 calc GR . . . .
C5 C 0.67217(11) 0.5044(3) 0.2780(2) 0.0611(10) Uani 1 1 d . . . . .
H5A H 0.6558 0.4429 0.2542 0.092 Uiso 1 1 calc GR . . . .
H5B H 0.6899 0.4938 0.3321 0.092 Uiso 1 1 calc GR . . . .
H5C H 0.6903 0.5199 0.2579 0.092 Uiso 1 1 calc GR . . . .
C1 C 0.53801(14) 0.1756(3) 0.1816(2) 0.0688(12) Uani 1 1 d . . . . .
H1A H 0.5076 0.1891 0.1585 0.103 Uiso 1 1 calc GR . . . .
H1B H 0.5438 0.1047 0.1976 0.103 Uiso 1 1 calc GR . . . .
H1C H 0.5465 0.1886 0.1452 0.103 Uiso 1 1 calc GR . . . .
C21 C 0.85530(16) 0.8269(3) 0.4406(3) 0.0755(14) Uani 1 1 d . . . . .
C10 C 0.52302(16) 0.6730(4) 0.0228(2) 0.0792(14) Uani 1 1 d . . . . .
H10A H 0.5020 0.7249 -0.0090 0.095 Uiso 1 1 calc R . . . .
H10B H 0.5159 0.6090 -0.0059 0.095 Uiso 1 1 calc R . . . .
F17 F 0.83729(14) 0.9065(3) 0.3962(3) 0.170(2) Uani 1 1 d . U . . .
C12 C 0.63551(18) 0.6428(4) 0.1075(3) 0.0881(16) Uani 1 1 d . . . . .
H12A H 0.6463 0.7119 0.1222 0.132 Uiso 1 1 calc GR . . . .
H12B H 0.6337 0.6260 0.0603 0.132 Uiso 1 1 calc GR . . . .
H12C H 0.6549 0.5954 0.1465 0.132 Uiso 1 1 calc GR . . . .
C9 C 0.48100(12) 0.6355(4) 0.0773(3) 0.0859(17) Uani 1 1 d . . . . .
H9A H 0.4692 0.5774 0.0434 0.129 Uiso 1 1 calc GR . . . .
H9B H 0.4625 0.6943 0.0544 0.129 Uiso 1 1 calc GR . . . .
H9C H 0.4830 0.6193 0.1247 0.129 Uiso 1 1 calc GR . . . .
Cl1 Cl 0.47193(2) 0.37521(6) 0.15563(4) 0.03464(18) Uani 1 1 d . . . . .
Cl2 Cl 0.56749(2) 0.42548(6) 0.15109(4) 0.03713(18) Uani 1 1 d . . . . .
Cl3 Cl 0.55262(2) 0.58144(6) 0.26323(5) 0.03873(19) Uani 1 1 d . . . . .


_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
Mg2 Mg2 3.5665(19) 2_655 ?
Mg2 Mg1 3.5476(14) . ?
Mg2 O1 2.133(2) . ?
Mg2 O2 2.154(2) . ?
Mg2 Cl1 2.4862(12) 2_655 ?
Mg2 Cl1 2.4565(12) . ?
Mg2 Cl2 2.5269(12) . ?
Mg2 Cl3 2.4585(12) . ?
Mg1 O4 2.149(2) . ?
Mg1 O3 2.090(2) . ?
Mg1 O5 2.088(2) . ?
Mg1 O6 2.135(3) . ?
Mg1 Cl2 2.4108(13) . ?
Mg1 Cl3 2.4194(13) . ?
O7 C14 1.380(3) . ?
O7 B1 1.471(4) . ?
O9 C20 1.389(3) . ?
O9 B1 1.457(4) . ?
O8 C17 1.388(3) . ?
O8 B1 1.472(4) . ?
O10 C22 1.384(3) . ?
O10 B1 1.468(4) . ?
O1 C2 1.431(4) . ?
O1 C1 1.437(4) . ?
F21 C24 1.338(4) . ?
F24 C23 1.323(4) . ?
F3 C15 1.324(4) . ?
O2 C3 1.427(4) . ?
O2 C4 1.448(4) . ?
F2 C15 1.339(4) . ?
O4 C7 1.430(4) . ?
O4 C8 1.432(4) . ?
F20 C24 1.326(4) . ?
F5 C13 1.318(4) . ?
F13 C19 1.325(4) . ?
F19 C24 1.324(4) . ?
F23 C23 1.337(4) . ?
F6 C13 1.315(4) . ?
F22 C23 1.326(4) . ?
F4 C13 1.332(4) . ?
O3 C6 1.438(4) . ?
O3 C5 1.442(4) . ?
F16 C21 1.316(5) . ?
F14 C19 1.318(4) . ?
F11 C18 1.334(4) . ?
O5 C10 1.460(5) . ?
O5 C9 1.423(5) . ?
F1 C15 1.336(4) . ?
F15 C19 1.324(4) . ?
O6 C11 1.422(5) . ?
O6 C12 1.399(5) . ?
F10 C18 1.319(5) . ?
F12 C18 1.307(5) . ?
F8 C16 1.334(6) . ?
F9 C16 1.323(5) . ?
F7 C16 1.303(5) . ?
C14 H14 1.0000 . ?
C14 C13 1.522(4) . ?
C14 C15 1.508(4) . ?
F18 C21 1.319(6) . ?
C17 H17 1.0000 . ?
C17 C16 1.534(5) . ?
C17 C18 1.502(5) . ?
C22 H22 1.0000 . ?
C22 C23 1.521(4) . ?
C22 C24 1.521(5) . ?
C20 H20 1.0000 . ?
C20 C19 1.510(4) . ?
C20 C21 1.517(5) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C6 C7 1.489(5) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C3 C2 1.505(5) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C11 C10 1.470(7) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C21 F17 1.331(6) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
Cl1 Mg2 2.4861(12) 2_655 ?

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
Mg1 Mg2 Mg2 122.83(3) . 2_655 ?
O1 Mg2 Mg2 104.73(6) . 2_655 ?
O1 Mg2 Mg1 126.82(7) . . ?
O1 Mg2 O2 76.27(9) . . ?
O1 Mg2 Cl1 95.21(7) . 2_655 ?
O1 Mg2 Cl1 93.21(7) . . ?
O1 Mg2 Cl2 87.04(7) . . ?
O1 Mg2 Cl3 164.31(8) . . ?
O2 Mg2 Mg2 131.79(7) . 2_655 ?
O2 Mg2 Mg1 87.41(7) . . ?
O2 Mg2 Cl1 167.63(8) . . ?
O2 Mg2 Cl1 88.34(7) . 2_655 ?
O2 Mg2 Cl2 92.16(7) . . ?
O2 Mg2 Cl3 90.32(7) . . ?
Cl1 Mg2 Mg2 43.48(3) 2_655 2_655 ?
Cl1 Mg2 Mg2 44.14(3) . 2_655 ?
Cl1 Mg2 Mg1 104.29(4) . . ?
Cl1 Mg2 Mg1 135.08(4) 2_655 . ?
Cl1 Mg2 Cl1 86.14(4) . 2_655 ?
Cl1 Mg2 Cl2 93.78(4) . . ?
Cl1 Mg2 Cl2 177.74(5) 2_655 . ?
Cl1 Mg2 Cl3 100.96(4) . . ?
Cl2 Mg2 Mg2 135.90(5) . 2_655 ?
Cl2 Mg2 Mg1 42.78(3) . . ?
Cl3 Mg2 Mg2 90.24(3) . 2_655 ?
Cl3 Mg2 Mg1 42.91(3) . . ?
Cl3 Mg2 Cl1 92.45(4) . 2_655 ?
Cl3 Mg2 Cl2 85.35(4) . . ?
O4 Mg1 Mg2 130.62(7) . . ?
O4 Mg1 Cl2 171.18(8) . . ?
O4 Mg1 Cl3 88.65(7) . . ?
O3 Mg1 Mg2 93.38(7) . . ?
O3 Mg1 O4 76.66(9) . . ?
O3 Mg1 O6 91.02(10) . . ?
O3 Mg1 Cl2 95.23(7) . . ?
O3 Mg1 Cl3 96.07(8) . . ?
O5 Mg1 Mg2 103.76(8) . . ?
O5 Mg1 O4 90.36(10) . . ?
O5 Mg1 O3 162.74(11) . . ?
O5 Mg1 O6 77.26(11) . . ?
O5 Mg1 Cl2 98.26(8) . . ?
O5 Mg1 Cl3 94.94(9) . . ?
O6 Mg1 Mg2 139.88(8) . . ?
O6 Mg1 O4 89.15(10) . . ?
O6 Mg1 Cl2 94.50(8) . . ?
O6 Mg1 Cl3 171.88(9) . . ?
Cl2 Mg1 Mg2 45.39(3) . . ?
Cl2 Mg1 Cl3 88.80(4) . . ?
Cl3 Mg1 Mg2 43.78(3) . . ?
C14 O7 B1 122.1(2) . . ?
C20 O9 B1 120.8(2) . . ?
C17 O8 B1 121.6(2) . . ?
C22 O10 B1 123.0(2) . . ?
C2 O1 Mg2 112.31(19) . . ?
C2 O1 C1 111.3(3) . . ?
C1 O1 Mg2 124.6(2) . . ?
C3 O2 Mg2 113.3(2) . . ?
C3 O2 C4 110.5(3) . . ?
C4 O2 Mg2 123.6(2) . . ?
C7 O4 Mg1 108.80(19) . . ?
C7 O4 C8 111.9(3) . . ?
C8 O4 Mg1 121.3(2) . . ?
C6 O3 Mg1 115.8(2) . . ?
C6 O3 C5 112.8(3) . . ?
C5 O3 Mg1 129.9(2) . . ?
C10 O5 Mg1 113.5(2) . . ?
C9 O5 Mg1 125.6(3) . . ?
C9 O5 C10 113.4(3) . . ?
C11 O6 Mg1 110.7(2) . . ?
C12 O6 Mg1 128.3(3) . . ?
C12 O6 C11 112.3(3) . . ?
O7 C14 H14 108.6 . . ?
O7 C14 C13 108.2(2) . . ?
O7 C14 C15 111.0(2) . . ?
C13 C14 H14 108.6 . . ?
C15 C14 H14 108.6 . . ?
C15 C14 C13 111.9(3) . . ?
O8 C17 H17 108.9 . . ?
O8 C17 C16 107.6(3) . . ?
O8 C17 C18 110.1(3) . . ?
C16 C17 H17 108.9 . . ?
C18 C17 H17 108.9 . . ?
C18 C17 C16 112.5(3) . . ?
O10 C22 H22 108.9 . . ?
O10 C22 C23 110.0(3) . . ?
O10 C22 C24 108.2(3) . . ?
C23 C22 H22 108.9 . . ?
C24 C22 H22 108.9 . . ?
C24 C22 C23 112.0(3) . . ?
F5 C13 F4 106.4(3) . . ?
F5 C13 C14 113.6(3) . . ?
F6 C13 F5 106.1(3) . . ?
F6 C13 F4 106.9(3) . . ?
F6 C13 C14 110.7(3) . . ?
F4 C13 C14 112.7(3) . . ?
O9 C20 H20 108.4 . . ?
O9 C20 C19 109.9(3) . . ?
O9 C20 C21 109.0(3) . . ?
C19 C20 H20 108.4 . . ?
C19 C20 C21 112.7(3) . . ?
C21 C20 H20 108.4 . . ?
F13 C19 C20 113.2(3) . . ?
F14 C19 F13 106.4(3) . . ?
F14 C19 F15 108.7(3) . . ?
F14 C19 C20 110.3(3) . . ?
F15 C19 F13 106.4(3) . . ?
F15 C19 C20 111.6(3) . . ?
F24 C23 F23 107.4(3) . . ?
F24 C23 F22 106.6(3) . . ?
F24 C23 C22 110.3(3) . . ?
F23 C23 C22 111.5(3) . . ?
F22 C23 F23 106.8(3) . . ?
F22 C23 C22 113.9(3) . . ?
O3 C6 H6A 110.3 . . ?
O3 C6 H6B 110.3 . . ?
O3 C6 C7 107.3(3) . . ?
H6A C6 H6B 108.5 . . ?
C7 C6 H6A 110.3 . . ?
C7 C6 H6B 110.3 . . ?
F3 C15 F2 106.8(3) . . ?
F3 C15 F1 107.5(3) . . ?
F3 C15 C14 113.5(3) . . ?
F2 C15 C14 109.9(3) . . ?
F1 C15 F2 106.5(3) . . ?
F1 C15 C14 112.2(3) . . ?
O2 C3 H3A 110.3 . . ?
O2 C3 H3B 110.3 . . ?
O2 C3 C2 107.2(3) . . ?
H3A C3 H3B 108.5 . . ?
C2 C3 H3A 110.3 . . ?
C2 C3 H3B 110.3 . . ?
O4 C7 C6 107.8(3) . . ?
O4 C7 H7A 110.1 . . ?
O4 C7 H7B 110.1 . . ?
C6 C7 H7A 110.1 . . ?
C6 C7 H7B 110.1 . . ?
H7A C7 H7B 108.5 . . ?
F8 C16 C17 112.2(4) . . ?
F9 C16 F8 107.3(4) . . ?
F9 C16 C17 111.0(4) . . ?
F7 C16 F8 107.3(4) . . ?
F7 C16 F9 108.6(4) . . ?
F7 C16 C17 110.2(3) . . ?
O2 C4 H4A 109.5 . . ?
O2 C4 H4B 109.5 . . ?
O2 C4 H4C 109.5 . . ?
H4A C4 H4B 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
F21 C24 C22 109.6(3) . . ?
F20 C24 F21 107.1(3) . . ?
F20 C24 C22 113.2(3) . . ?
F19 C24 F21 106.6(3) . . ?
F19 C24 F20 107.2(3) . . ?
F19 C24 C22 112.7(3) . . ?
O6 C11 H11A 110.2 . . ?
O6 C11 H11B 110.2 . . ?
O6 C11 C10 107.5(4) . . ?
H11A C11 H11B 108.5 . . ?
C10 C11 H11A 110.2 . . ?
C10 C11 H11B 110.2 . . ?
F11 C18 C17 112.2(3) . . ?
F10 C18 F11 106.4(3) . . ?
F10 C18 C17 113.8(3) . . ?
F12 C18 F11 105.4(4) . . ?
F12 C18 F10 107.3(4) . . ?
F12 C18 C17 111.2(3) . . ?
O9 B1 O7 113.7(2) . . ?
O9 B1 O8 107.4(2) . . ?
O9 B1 O10 107.3(2) . . ?
O8 B1 O7 107.6(2) . . ?
O10 B1 O7 108.0(2) . . ?
O10 B1 O8 112.9(2) . . ?
O1 C2 C3 107.2(3) . . ?
O1 C2 H2A 110.3 . . ?
O1 C2 H2B 110.3 . . ?
C3 C2 H2A 110.3 . . ?
C3 C2 H2B 110.3 . . ?
H2A C2 H2B 108.5 . . ?
O4 C8 H8A 109.5 . . ?
O4 C8 H8B 109.5 . . ?
O4 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
O3 C5 H5A 109.5 . . ?
O3 C5 H5B 109.5 . . ?
O3 C5 H5C 109.5 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
O1 C1 H1A 109.5 . . ?
O1 C1 H1B 109.5 . . ?
O1 C1 H1C 109.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
F16 C21 F18 106.1(4) . . ?
F16 C21 C20 111.4(3) . . ?
F16 C21 F17 107.1(5) . . ?
F18 C21 C20 112.4(4) . . ?
F18 C21 F17 108.5(4) . . ?
F17 C21 C20 111.1(4) . . ?
O5 C10 C11 107.9(3) . . ?
O5 C10 H10A 110.1 . . ?
O5 C10 H10B 110.1 . . ?
C11 C10 H10A 110.1 . . ?
C11 C10 H10B 110.1 . . ?
H10A C10 H10B 108.4 . . ?
O6 C12 H12A 109.5 . . ?
O6 C12 H12B 109.5 . . ?
O6 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
O5 C9 H9A 109.5 . . ?
O5 C9 H9B 109.5 . . ?
O5 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
Mg2 Cl1 Mg2 92.37(4) . 2_655 ?
Mg1 Cl2 Mg2 91.83(4) . . ?
Mg1 Cl3 Mg2 93.31(4) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
