#------------------------------------------------------------------------------
#$Date: 2021-05-14 12:38:22 +0300 (Fri, 14 May 2021) $
#$Revision: 265217 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/08/93/4089365.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4089365
loop_
_publ_author_name
'Schnurr, Anna'
'Samigullin, Kamil'
'Breunig, Jens M.'
'Bolte, Michael'
'Lerner, Hans-Wolfram'
'Wagner, Matthias'
_publ_section_title
;
 One-Pot Synthesis of [(C6F5)2BH2]−from C6F5MgBr/BH3·SMe2and
 Its in Situ Transformation to Piers’ Borane
;
_journal_issue                   10
_journal_name_full               Organometallics
_journal_page_first              2838
_journal_paper_doi               10.1021/om200186w
_journal_volume                  30
_journal_year                    2011
_chemical_formula_moiety         'C32 H24 B2 F20 Mg O2, 2(C6 H6)'
_chemical_formula_sum            'C44 H36 B2 F20 Mg O2'
_chemical_formula_weight         1022.66
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 91.917(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.2659(13)
_cell_length_b                   12.0170(10)
_cell_length_c                   22.4602(15)
_cell_measurement_reflns_used    10893
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      25.3
_cell_measurement_theta_min      1.9
_cell_volume                     4657.5(6)
_computing_cell_refinement       'X-Area (Stoe & Cie, 2001)'
_computing_data_collection       'X-Area (Stoe & Cie, 2001)'
_computing_data_reduction        'X-Area (Stoe & Cie, 2001)'
_computing_molecular_graphics    'XP (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'STOE IPDS II two-circle-diffractometer'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1241
_diffrn_reflns_av_sigmaI/netI    0.0790
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            20561
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         1.81
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.155
_exptl_absorpt_correction_T_max  0.9908
_exptl_absorpt_correction_T_min  0.9594
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'MULABS (Spek, 2003; Blessing, 1995)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.458
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             2072
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.278
_refine_diff_density_min         -0.364
_refine_diff_density_rms         0.061
_refine_ls_extinction_coef       0.0040(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.861
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     321
_refine_ls_number_reflns         4126
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.861
_refine_ls_R_factor_all          0.0950
_refine_ls_R_factor_gt           0.0553
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0880P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1338
_refine_ls_wR_factor_ref         0.1524
_reflns_number_gt                2346
_reflns_number_total             4126
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om200186w_si_001.cif
_cod_data_source_block           wa1178
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Monoclinic' was changed to
'monoclinic' in accordance with the
/home/saulius/struct/COD-crude-data/automatic-downloads/DataCite-retrospective/ACS/depositions/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               4089365
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'
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
Mg1 Mg 0.5000 0.28933(11) 0.2500 0.0475(4) Uani 1 2 d S
B1 B 0.47280(19) 0.4212(3) 0.32778(14) 0.0448(7) Uani 1 1 d .
H1 H 0.4375(17) 0.406(2) 0.2838(14) 0.062(8) Uiso 1 1 d .
H2 H 0.5234(18) 0.353(2) 0.3276(13) 0.062(8) Uiso 1 1 d .
C1 C 0.50989(16) 0.5444(2) 0.32654(11) 0.0451(6) Uani 1 1 d .
C2 C 0.46285(17) 0.6374(2) 0.32459(13) 0.0512(7) Uani 1 1 d .
C3 C 0.4896(2) 0.7454(3) 0.32371(13) 0.0594(8) Uani 1 1 d .
C4 C 0.5678(2) 0.7638(3) 0.32327(14) 0.0645(9) Uani 1 1 d .
C5 C 0.61774(18) 0.6758(3) 0.32550(14) 0.0606(8) Uani 1 1 d .
C6 C 0.58837(17) 0.5682(3) 0.32656(13) 0.0524(7) Uani 1 1 d .
F2 F 0.38460(10) 0.62362(14) 0.32337(8) 0.0628(5) Uani 1 1 d .
F3 F 0.43966(13) 0.83157(15) 0.32087(10) 0.0833(6) Uani 1 1 d .
F4 F 0.59492(14) 0.86889(16) 0.32035(10) 0.0880(7) Uani 1 1 d .
F5 F 0.69506(11) 0.69270(18) 0.32498(10) 0.0832(6) Uani 1 1 d .
F6 F 0.64122(9) 0.48471(15) 0.32913(8) 0.0653(5) Uani 1 1 d .
C11 C 0.41952(16) 0.4005(2) 0.38389(12) 0.0461(7) Uani 1 1 d .
C12 C 0.45255(18) 0.3884(2) 0.44047(13) 0.0516(7) Uani 1 1 d .
C13 C 0.4105(2) 0.3732(3) 0.49054(14) 0.0639(9) Uani 1 1 d .
C14 C 0.3309(2) 0.3703(3) 0.48498(16) 0.0690(10) Uani 1 1 d .
C15 C 0.29483(19) 0.3824(3) 0.43010(17) 0.0634(9) Uani 1 1 d .
C16 C 0.33971(18) 0.3963(2) 0.38124(14) 0.0529(7) Uani 1 1 d .
F12 F 0.53083(10) 0.39042(15) 0.44784(8) 0.0652(5) Uani 1 1 d .
F13 F 0.44647(15) 0.36100(17) 0.54438(8) 0.0860(7) Uani 1 1 d .
F14 F 0.28796(15) 0.35731(18) 0.53383(10) 0.0987(8) Uani 1 1 d .
F15 F 0.21686(11) 0.38146(19) 0.42484(11) 0.0897(7) Uani 1 1 d .
F16 F 0.30070(9) 0.40683(16) 0.32802(8) 0.0656(5) Uani 1 1 d .
O1 O 0.58763(13) 0.18291(17) 0.24597(10) 0.0638(6) Uani 1 1 d .
C21 C 0.6590(2) 0.2030(3) 0.2800(2) 0.0916(13) Uani 1 1 d .
H21A H 0.6606 0.2818 0.2929 0.110 Uiso 1 1 calc R
H21B H 0.7035 0.1900 0.2542 0.110 Uiso 1 1 calc R
C22 C 0.6665(3) 0.1317(4) 0.3320(3) 0.130(2) Uani 1 1 d .
H22A H 0.7153 0.1482 0.3537 0.194 Uiso 1 1 calc R
H22B H 0.6661 0.0537 0.3194 0.194 Uiso 1 1 calc R
H22C H 0.6230 0.1453 0.3581 0.194 Uiso 1 1 calc R
C23 C 0.5899(4) 0.0870(4) 0.2068(2) 0.126(2) Uani 1 1 d .
H23A H 0.6391 0.0472 0.2162 0.151 Uiso 1 1 calc R
H23B H 0.5474 0.0368 0.2179 0.151 Uiso 1 1 calc R
C24 C 0.5849(5) 0.0996(4) 0.1498(2) 0.177(4) Uani 1 1 d .
H24A H 0.5876 0.0267 0.1305 0.266 Uiso 1 1 calc R
H24B H 0.6278 0.1463 0.1370 0.266 Uiso 1 1 calc R
H24C H 0.5355 0.1354 0.1387 0.266 Uiso 1 1 calc R
C31 C 0.6910(2) 0.3126(4) 0.5219(3) 0.0992(15) Uani 1 1 d .
H31 H 0.6502 0.3556 0.5375 0.119 Uiso 1 1 calc R
C32 C 0.7210(3) 0.3417(4) 0.4693(3) 0.1017(15) Uani 1 1 d .
H32 H 0.7013 0.4043 0.4479 0.122 Uiso 1 1 calc R
C33 C 0.7815(3) 0.2784(4) 0.4468(2) 0.1023(14) Uani 1 1 d .
H33 H 0.8035 0.2983 0.4101 0.123 Uiso 1 1 calc R
C41 C 0.52604(19) 0.1074(3) 0.50950(18) 0.0715(10) Uani 1 1 d .
H41 H 0.5440 0.1813 0.5159 0.086 Uiso 1 1 calc R
C42 C 0.57400(19) 0.0290(3) 0.48518(17) 0.0715(10) Uani 1 1 d .
H42 H 0.6252 0.0488 0.4751 0.086 Uiso 1 1 calc R
C43 C 0.54778(19) -0.0783(3) 0.47551(18) 0.0719(10) Uani 1 1 d .
H43 H 0.5808 -0.1320 0.4585 0.086 Uiso 1 1 calc R
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 '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'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
O1 Mg1 O1 99.80(14) 2_655 .
O1 Mg1 B1 128.48(10) 2_655 2_655
O1 Mg1 B1 102.86(10) . 2_655
O1 Mg1 B1 102.86(10) 2_655 .
O1 Mg1 B1 128.48(10) . .
B1 Mg1 B1 98.04(16) 2_655 .
O1 Mg1 H1 90.8(9) 2_655 .
O1 Mg1 H1 156.7(9) . .
B1 Mg1 H1 86.1(9) 2_655 .
B1 Mg1 H1 28.2(9) . .
O1 Mg1 H2 110.5(9) 2_655 .
O1 Mg1 H2 99.2(9) . .
B1 Mg1 H2 110.6(9) 2_655 .
B1 Mg1 H2 29.4(9) . .
H1 Mg1 H2 57.5(13) . .
C11 B1 C1 113.2(2) . .
C11 B1 Mg1 126.7(2) . .
C1 B1 Mg1 120.16(19) . .
C11 B1 H1 110.3(15) . .
C1 B1 H1 108.9(15) . .
Mg1 B1 H1 52.5(14) . .
C11 B1 H2 109.6(14) . .
C1 B1 H2 109.7(14) . .
Mg1 B1 H2 52.3(14) . .
H1 B1 H2 105(2) . .
C2 C1 C6 114.0(3) . .
C2 C1 B1 120.6(2) . .
C6 C1 B1 125.3(3) . .
F2 C2 C3 116.6(3) . .
F2 C2 C1 119.0(3) . .
C3 C2 C1 124.4(3) . .
F3 C3 C4 120.3(3) . .
F3 C3 C2 120.6(3) . .
C4 C3 C2 119.0(3) . .
F4 C4 C5 120.6(3) . .
F4 C4 C3 119.7(3) . .
C5 C4 C3 119.7(3) . .
F5 C5 C4 120.4(3) . .
F5 C5 C6 120.1(3) . .
C4 C5 C6 119.5(3) . .
F6 C6 C1 120.3(3) . .
F6 C6 C5 116.3(3) . .
C1 C6 C5 123.3(3) . .
C16 C11 C12 114.6(3) . .
C16 C11 B1 124.8(3) . .
C12 C11 B1 120.6(3) . .
F12 C12 C13 117.1(3) . .
F12 C12 C11 119.3(3) . .
C13 C12 C11 123.7(3) . .
F13 C13 C12 120.6(3) . .
F13 C13 C14 120.5(3) . .
C12 C13 C14 118.9(3) . .
F14 C14 C15 119.8(4) . .
F14 C14 C13 120.1(4) . .
C15 C14 C13 120.1(3) . .
F15 C15 C14 120.0(3) . .
F15 C15 C16 121.3(3) . .
C14 C15 C16 118.7(3) . .
F16 C16 C15 116.0(3) . .
F16 C16 C11 120.0(3) . .
C15 C16 C11 124.0(3) . .
C21 O1 C23 114.3(3) . .
C21 O1 Mg1 120.3(2) . .
C23 O1 Mg1 125.2(3) . .
O1 C21 C22 112.2(3) . .
O1 C21 H21A 109.2 . .
C22 C21 H21A 109.2 . .
O1 C21 H21B 109.2 . .
C22 C21 H21B 109.2 . .
H21A C21 H21B 107.9 . .
C21 C22 H22A 109.5 . .
C21 C22 H22B 109.5 . .
H22A C22 H22B 109.5 . .
C21 C22 H22C 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
C24 C23 O1 120.4(4) . .
C24 C23 H23A 107.2 . .
O1 C23 H23A 107.2 . .
C24 C23 H23B 107.2 . .
O1 C23 H23B 107.2 . .
H23A C23 H23B 106.9 . .
C23 C24 H24A 109.5 . .
C23 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
C23 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
C32 C31 C33 121.1(5) . 7_656
C32 C31 H31 119.5 . .
C33 C31 H31 119.5 7_656 .
C31 C32 C33 119.2(5) . .
C31 C32 H32 120.4 . .
C33 C32 H32 120.4 . .
C31 C33 C32 119.8(5) 7_656 .
C31 C33 H33 120.1 7_656 .
C32 C33 H33 120.1 . .
C43 C41 C42 119.8(3) 5_656 .
C43 C41 H41 120.1 5_656 .
C42 C41 H41 120.1 . .
C41 C42 C43 120.1(3) . .
C41 C42 H42 119.9 . .
C43 C42 H42 119.9 . .
C41 C43 C42 120.1(3) 5_656 .
C41 C43 H43 120.0 5_656 .
C42 C43 H43 120.0 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mg1 O1 1.985(2) 2_655
Mg1 O1 1.985(2) .
Mg1 B1 2.416(3) 2_655
Mg1 B1 2.416(3) .
Mg1 H1 1.94(3) .
Mg1 H2 1.93(3) .
B1 C11 1.604(4) .
B1 C1 1.614(4) .
B1 H1 1.16(3) .
B1 H2 1.20(3) .
C1 C2 1.381(4) .
C1 C6 1.385(4) .
C2 F2 1.361(3) .
C2 C3 1.378(4) .
C3 F3 1.348(4) .
C3 C4 1.369(5) .
C4 F4 1.349(3) .
C4 C5 1.364(5) .
C5 F5 1.351(4) .
C5 C6 1.389(4) .
C6 F6 1.356(3) .
C11 C16 1.378(4) .
C11 C12 1.383(4) .
C12 F12 1.356(3) .
C12 C13 1.371(4) .
C13 F13 1.349(4) .
C13 C14 1.377(5) .
C14 F14 1.353(4) .
C14 C15 1.370(5) .
C15 F15 1.348(4) .
C15 C16 1.375(4) .
C16 F16 1.358(3) .
O1 C21 1.449(5) .
O1 C23 1.451(4) .
C21 C22 1.451(7) .
C21 H21A 0.9900 .
C21 H21B 0.9900 .
C22 H22A 0.9800 .
C22 H22B 0.9800 .
C22 H22C 0.9800 .
C23 C24 1.289(6) .
C23 H23A 0.9900 .
C23 H23B 0.9900 .
C24 H24A 0.9800 .
C24 H24B 0.9800 .
C24 H24C 0.9800 .
C31 C32 1.351(7) .
C31 C33 1.376(7) 7_656
C31 H31 0.9500 .
C32 C33 1.400(6) .
C32 H32 0.9500 .
C33 C31 1.376(7) 7_656
C33 H33 0.9500 .
C41 C43 1.374(5) 5_656
C41 C42 1.379(5) .
C41 H41 0.9500 .
C42 C43 1.381(5) .
C42 H42 0.9500 .
C43 C41 1.374(5) 5_656
C43 H43 0.9500 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
O1 Mg1 B1 C11 21.8(3) 2_655 .
O1 Mg1 B1 C11 -92.1(3) . .
B1 Mg1 B1 C11 154.4(3) 2_655 .
O1 Mg1 B1 C1 -158.3(2) 2_655 .
O1 Mg1 B1 C1 87.8(2) . .
B1 Mg1 B1 C1 -25.73(16) 2_655 .
C11 B1 C1 C2 -59.4(3) . .
Mg1 B1 C1 C2 120.7(2) . .
C11 B1 C1 C6 121.4(3) . .
Mg1 B1 C1 C6 -58.5(3) . .
C6 C1 C2 F2 178.9(3) . .
B1 C1 C2 F2 -0.4(4) . .
C6 C1 C2 C3 -1.0(4) . .
B1 C1 C2 C3 179.7(3) . .
F2 C2 C3 F3 -1.0(4) . .
C1 C2 C3 F3 179.0(3) . .
F2 C2 C3 C4 -178.3(3) . .
C1 C2 C3 C4 1.7(5) . .
F3 C3 C4 F4 0.4(5) . .
C2 C3 C4 F4 177.7(3) . .
F3 C3 C4 C5 -179.3(3) . .
C2 C3 C4 C5 -2.0(5) . .
F4 C4 C5 F5 0.2(5) . .
C3 C4 C5 F5 179.9(3) . .
F4 C4 C5 C6 -177.9(3) . .
C3 C4 C5 C6 1.7(5) . .
C2 C1 C6 F6 179.2(2) . .
B1 C1 C6 F6 -1.6(4) . .
C2 C1 C6 C5 0.8(4) . .
B1 C1 C6 C5 -180.0(3) . .
F5 C5 C6 F6 2.2(4) . .
C4 C5 C6 F6 -179.6(3) . .
F5 C5 C6 C1 -179.3(3) . .
C4 C5 C6 C1 -1.2(5) . .
C1 B1 C11 C16 105.8(3) . .
Mg1 B1 C11 C16 -74.3(4) . .
C1 B1 C11 C12 -72.4(3) . .
Mg1 B1 C11 C12 107.5(3) . .
C16 C11 C12 F12 179.4(3) . .
B1 C11 C12 F12 -2.2(4) . .
C16 C11 C12 C13 0.1(4) . .
B1 C11 C12 C13 178.4(3) . .
F12 C12 C13 F13 0.1(4) . .
C11 C12 C13 F13 179.5(3) . .
F12 C12 C13 C14 -179.8(3) . .
C11 C12 C13 C14 -0.5(5) . .
F13 C13 C14 F14 1.2(5) . .
C12 C13 C14 F14 -178.9(3) . .
F13 C13 C14 C15 -179.8(3) . .
C12 C13 C14 C15 0.2(5) . .
F14 C14 C15 F15 0.2(5) . .
C13 C14 C15 F15 -178.9(3) . .
F14 C14 C15 C16 179.5(3) . .
C13 C14 C15 C16 0.5(5) . .
F15 C15 C16 F16 -1.2(4) . .
C14 C15 C16 F16 179.5(3) . .
F15 C15 C16 C11 178.4(3) . .
C14 C15 C16 C11 -0.9(5) . .
C12 C11 C16 F16 -179.8(3) . .
B1 C11 C16 F16 2.0(4) . .
C12 C11 C16 C15 0.6(4) . .
B1 C11 C16 C15 -177.7(3) . .
O1 Mg1 O1 C21 -138.2(3) 2_655 .
B1 Mg1 O1 C21 88.4(3) 2_655 .
B1 Mg1 O1 C21 -23.0(3) . .
O1 Mg1 O1 C23 47.4(3) 2_655 .
B1 Mg1 O1 C23 -86.0(3) 2_655 .
B1 Mg1 O1 C23 162.6(3) . .
C23 O1 C21 C22 -80.5(5) . .
Mg1 O1 C21 C22 104.5(4) . .
C21 O1 C23 C24 -114.3(7) . .
Mg1 O1 C23 C24 60.4(8) . .
C33 C31 C32 C33 -0.5(7) 7_656 .
C31 C32 C33 C31 0.5(7) . 7_656
C43 C41 C42 C43 0.4(6) 5_656 .
C41 C42 C43 C41 -0.4(6) . 5_656
