#------------------------------------------------------------------------------
#$Date: 2016-02-21 02:03:34 +0200 (Sun, 21 Feb 2016) $
#$Revision: 176798 $
#$URL: svn://www.crystallography.net/cod/cif/2/23/66/2236664.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2236664
loop_
_publ_author_name
'Koteswara Rao, Vandavasi'
'Zeller, Matthias'
'Lovelace-Cameron, Sherri R.'
_publ_section_title
;
 Poly[tetrakis(dimethylformamide)tris(μ₄-terephthalato)trimagnesium]
;
_journal_coeditor_code           TK5144
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1291
_journal_page_last               m1292
_journal_paper_doi               10.1107/S1600536812038949
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          '[Mg3 (C8 H4 O4)3 (C3 H7 N O)4]'
_chemical_formula_moiety         'C36 H40 Mg3 N4 O16'
_chemical_formula_sum            'C36 H40 Mg3 N4 O16'
_chemical_formula_weight         857.65
_chemical_name_systematic
;
Poly[tetrakis(dimethylformamide)tris(μ₄-terephthalato)trimagnesium]
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/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                 100.825(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   18.158(2)
_cell_length_b                   9.5046(13)
_cell_length_c                   24.066(3)
_cell_measurement_reflns_used    4706
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30.21
_cell_measurement_theta_min      2.28
_cell_volume                     4079.5(9)
_computing_cell_refinement       'SAINT (Bruker, 2011)'
_computing_data_collection       'APEX2 (Bruker, 2011)'
_computing_data_reduction        'SAINT (Bruker, 2011)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 2001)'
_computing_publication_material  'publCIF (Westrip, 2010)'
_computing_structure_refinement
;
SHELXLE (Hübschle et al., 2011) and
SHELXL97 (Sheldrick, 2008)
;
_computing_structure_solution    'SHELXTL (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Bruker SMART APEX CCD'
_diffrn_measurement_method       'ω scans'
_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  0.0385
_diffrn_reflns_av_sigmaI/netI    0.0595
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            21816
_diffrn_reflns_theta_full        28.00
_diffrn_reflns_theta_max         28.28
_diffrn_reflns_theta_min         1.14
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.150
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_correction_T_min  0.6187
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2011)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.396
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1792
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.461
_refine_diff_density_min         -0.346
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.118
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     574
_refine_ls_number_reflns         10014
_refine_ls_number_restraints     33
_refine_ls_restrained_S_all      1.117
_refine_ls_R_factor_all          0.0905
_refine_ls_R_factor_gt           0.0662
_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)+(0.0450P)²+5.8483P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1384
_refine_ls_wR_factor_ref         0.1494
_reflns_number_gt                7598
_reflns_number_total             10014
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            tk5144.cif
_cod_data_source_block           I
_cod_original_cell_volume        4079.6(10)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2236664
_cod_database_fobs_code          2236664
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_disorder_assembly
_atom_site_disorder_group
Mg Mg1 0.20949(5) 0.47092(9) 0.09756(4) 0.00978(18) Uani d . 1 1 A .
Mg Mg2 0.25057(4) 0.41016(9) 0.24603(4) 0.00810(17) Uani d . 1 1 . .
Mg Mg3 0.28787(5) 0.33064(9) 0.39299(4) 0.00983(18) Uani d D 1 1 . .
O O1 0.30953(10) 0.3705(2) 0.11070(8) 0.0152(4) Uani d . 1 1 . .
O O2 0.33782(10) 0.3615(2) 0.20560(8) 0.0146(4) Uani d . 1 1 . .
O O3 0.67833(10) 0.0492(2) 0.20601(8) 0.0138(4) Uani d . 1 1 . .
O O4 0.64810(10) 0.0028(2) 0.11299(8) 0.0147(4) Uani d . 1 1 . .
O O5 0.14333(10) 0.3020(2) 0.10680(8) 0.0138(4) Uani d . 1 1 . .
O O6 0.17971(10) 0.2685(2) 0.20005(8) 0.0132(4) Uani d . 1 1 . .
O O7 -0.16247(10) -0.0372(2) 0.21503(8) 0.0135(4) Uani d . 1 1 . .
O O8 -0.18736(9) -0.0683(2) 0.12085(8) 0.0134(4) Uani d . 1 1 . .
O O9 0.26181(10) 0.6786(2) 0.12084(8) 0.0140(4) Uani d . 1 1 . .
O O10 0.21240(9) 0.55376(19) 0.18163(7) 0.0104(4) Uani d . 1 1 . .
O O11 0.23514(10) 1.1286(2) 0.36602(8) 0.0135(4) Uani d . 1 1 . .
O O12 0.28604(9) 1.25894(19) 0.30769(7) 0.0106(4) Uani d . 1 1 . .
O O13 0.21208(10) 0.4826(2) 0.01346(8) 0.0175(4) Uani d . 1 1 . .
O O14 0.10924(10) 0.5856(2) 0.07525(8) 0.0169(4) Uani d . 1 1 . .
O O16 0.28667(10) 0.3291(2) 0.47647(8) 0.0160(4) Uani d . 1 1 A .
N N1 0.26651(13) 0.6147(3) -0.04601(10) 0.0189(5) Uani d . 1 1 . .
N N2 -0.01117(12) 0.6279(3) 0.08363(11) 0.0204(5) Uani d . 1 1 . .
N N4 0.24305(14) 0.4812(3) 0.53454(11) 0.0203(5) Uani d . 1 1 A .
C C1 0.35166(14) 0.3411(3) 0.15737(12) 0.0128(5) Uani d . 1 1 A .
C C2 0.42644(14) 0.2735(3) 0.15462(12) 0.0143(5) Uani d . 1 1 . .
C C3 0.44180(14) 0.2137(3) 0.10546(12) 0.0158(5) Uani d . 1 1 A .
H H3 0.4056 0.2187 0.0714 0.019 Uiso calc R 1 1 . .
C C4 0.51035(14) 0.1461(3) 0.10581(11) 0.0152(5) Uani d . 1 1 . .
H H4 0.5203 0.1042 0.0722 0.018 Uiso calc R 1 1 A .
C C5 0.56423(14) 0.1400(3) 0.15565(11) 0.0135(5) Uani d . 1 1 A .
C C6 0.54986(16) 0.2045(4) 0.20400(13) 0.0272(7) Uani d . 1 1 . .
H H6 0.5870 0.2041 0.2376 0.033 Uiso calc R 1 1 A .
C C7 0.48118(16) 0.2702(4) 0.20368(13) 0.0280(8) Uani d . 1 1 A .
H H7 0.4716 0.3132 0.2372 0.034 Uiso calc R 1 1 . .
C C8 0.63647(13) 0.0582(3) 0.15837(11) 0.0116(5) Uani d . 1 1 . .
C C9 0.13477(13) 0.2544(3) 0.15446(11) 0.0112(5) Uani d . 1 1 A .
C C10 0.06273(13) 0.1758(3) 0.15667(11) 0.0115(5) Uani d . 1 1 . .
C C11 0.01302(14) 0.1379(3) 0.10717(11) 0.0141(5) Uani d . 1 1 A .
H H11 0.0251 0.1584 0.0713 0.017 Uiso calc R 1 1 . .
C C12 -0.05394(14) 0.0702(3) 0.11033(11) 0.0148(5) Uani d . 1 1 . .
H H12 -0.0869 0.0430 0.0766 0.018 Uiso calc R 1 1 A .
C C13 -0.07311(13) 0.0421(3) 0.16273(11) 0.0119(5) Uani d . 1 1 A .
C C14 -0.02315(15) 0.0784(3) 0.21175(12) 0.0196(6) Uani d . 1 1 . .
H H14 -0.0352 0.0579 0.2476 0.024 Uiso calc R 1 1 A .
C C15 0.04437(15) 0.1445(3) 0.20874(11) 0.0183(6) Uani d . 1 1 A .
H H15 0.0781 0.1684 0.2426 0.022 Uiso calc R 1 1 . .
C C16 -0.14698(13) -0.0274(3) 0.16669(11) 0.0110(5) Uani d . 1 1 . .
C C17 0.24114(13) 0.6691(3) 0.16770(11) 0.0108(5) Uani d . 1 1 A .
C C18 0.24572(14) 0.7919(3) 0.20711(11) 0.0122(5) Uani d . 1 1 . .
C C19 0.29401(14) 0.9041(3) 0.20265(12) 0.0144(5) Uani d . 1 1 A .
H H19 0.3251 0.9017 0.1750 0.017 Uiso calc R 1 1 . .
C C20 0.29669(14) 1.0191(3) 0.23864(12) 0.0140(5) Uani d . 1 1 . .
H H20 0.3299 1.0949 0.2359 0.017 Uiso calc R 1 1 A .
C C21 0.25055(14) 1.0230(3) 0.27868(11) 0.0119(5) Uani d . 1 1 A .
C C22 0.20191(14) 0.9115(3) 0.28294(11) 0.0143(5) Uani d . 1 1 . .
H H22 0.1704 0.9144 0.3103 0.017 Uiso calc R 1 1 A .
C C23 0.19968(15) 0.7962(3) 0.24713(12) 0.0146(5) Uani d . 1 1 A .
H H23 0.1666 0.7202 0.2500 0.018 Uiso calc R 1 1 . .
C C24 0.25574(13) 1.1429(3) 0.31948(11) 0.0112(5) Uani d . 1 1 . .
C C25 0.26467(15) 0.5073(3) -0.01164(11) 0.0149(5) Uani d . 1 1 A .
H H25 0.3062 0.4447 -0.0056 0.018 Uiso calc R 1 1 . .
C C26 0.20341(19) 0.7121(4) -0.05927(15) 0.0313(8) Uani d . 1 1 A .
H H26A 0.2223 0.8077 -0.0625 0.047 Uiso calc R 1 1 . .
H H26B 0.1740 0.7090 -0.0291 0.047 Uiso calc R 1 1 . .
H H26C 0.1716 0.6848 -0.0952 0.047 Uiso calc R 1 1 . .
C C27 0.32811(18) 0.6340(4) -0.07655(13) 0.0258(7) Uani d . 1 1 A .
H H27A 0.3083 0.6350 -0.1173 0.039 Uiso calc R 1 1 . .
H H27B 0.3639 0.5565 -0.0675 0.039 Uiso calc R 1 1 . .
H H27C 0.3534 0.7234 -0.0653 0.039 Uiso calc R 1 1 . .
C C28 0.05722(14) 0.5785(3) 0.10208(12) 0.0173(6) Uani d . 1 1 A .
H H28 0.0672 0.5349 0.1382 0.021 Uiso calc R 1 1 . .
C C29 -0.03021(19) 0.6938(5) 0.02858(15) 0.0386(9) Uani d . 1 1 A .
H H29A -0.0737 0.6460 0.0061 0.058 Uiso calc R 1 1 . .
H H29B 0.0125 0.6868 0.0092 0.058 Uiso calc R 1 1 . .
H H29C -0.0423 0.7931 0.0332 0.058 Uiso calc R 1 1 . .
C C30 -0.07011(17) 0.6193(4) 0.11684(15) 0.0325(8) Uani d . 1 1 A .
H H30A -0.1142 0.5730 0.0945 0.049 Uiso calc R 1 1 . .
H H30B -0.0837 0.7143 0.1271 0.049 Uiso calc R 1 1 . .
H H30C -0.0522 0.5648 0.1513 0.049 Uiso calc R 1 1 . .
O O15 0.39003(12) 0.2178(3) 0.41379(13) 0.0163(6) Uani d PD 0.923(4) 1 A 1
C C31 0.43687(16) 0.2254(4) 0.38262(14) 0.0205(7) Uani d PD 0.923(4) 1 A 1
H H31 0.4223 0.2736 0.3477 0.025 Uiso calc PR 0.923(4) 1 A 1
N N3 0.50494(17) 0.1726(3) 0.39358(14) 0.0223(7) Uani d PD 0.923(4) 1 A 1
C C32 0.55482(19) 0.1786(4) 0.35236(17) 0.0331(9) Uani d PD 0.923(4) 1 A 1
H H32A 0.6058 0.2014 0.3718 0.050 Uiso calc PR 0.923(4) 1 A 1
H H32B 0.5371 0.2512 0.3241 0.050 Uiso calc PR 0.923(4) 1 A 1
H H32C 0.5549 0.0871 0.3336 0.050 Uiso calc PR 0.923(4) 1 A 1
C C33 0.5317(2) 0.0975(6) 0.44580(19) 0.0518(14) Uani d PD 0.923(4) 1 A 1
H H33A 0.5822 0.1304 0.4624 0.078 Uiso calc PR 0.923(4) 1 A 1
H H33B 0.5332 -0.0035 0.4380 0.078 Uiso calc PR 0.923(4) 1 A 1
H H33C 0.4978 0.1149 0.4723 0.078 Uiso calc PR 0.923(4) 1 A 1
O O15B 0.3792(13) 0.193(4) 0.423(2) 0.0163(6) Uani d PDU 0.077(4) 1 A 2
C C31B 0.4482(14) 0.211(4) 0.4268(15) 0.021(4) Uani d PDU 0.077(4) 1 A 2
H H31B 0.4709 0.2819 0.4521 0.026 Uiso calc PR 0.077(4) 1 A 2
N N3B 0.4921(15) 0.140(4) 0.3991(18) 0.0223(7) Uani d PDU 0.077(4) 1 A 2
C C32B 0.461(2) 0.052(5) 0.3498(16) 0.034(8) Uani d PDU 0.077(4) 1 A 2
H H32D 0.4994 0.0368 0.3268 0.051 Uiso calc PR 0.077(4) 1 A 2
H H32E 0.4178 0.1004 0.3270 0.051 Uiso calc PR 0.077(4) 1 A 2
H H32F 0.4448 -0.0384 0.3627 0.051 Uiso calc PR 0.077(4) 1 A 2
C C33B 0.5715(15) 0.168(5) 0.405(2) 0.041(9) Uani d PDU 0.077(4) 1 A 2
H H33D 0.5894 0.1304 0.3717 0.061 Uiso calc PR 0.077(4) 1 A 2
H H33E 0.5988 0.1230 0.4391 0.061 Uiso calc PR 0.077(4) 1 A 2
H H33F 0.5801 0.2698 0.4070 0.061 Uiso calc PR 0.077(4) 1 A 2
C C34 0.23760(16) 0.3682(3) 0.50274(12) 0.0186(6) Uani d . 1 1 . .
H H34 0.1934 0.3128 0.4996 0.022 Uiso calc R 1 1 A .
C C35 0.31082(17) 0.5676(4) 0.54180(15) 0.0290(7) Uani d . 1 1 . .
H H35A 0.2977 0.6662 0.5469 0.044 Uiso calc R 1 1 A .
H H35B 0.3338 0.5591 0.5082 0.044 Uiso calc R 1 1 . .
H H35C 0.3464 0.5355 0.5752 0.044 Uiso calc R 1 1 . .
C C36 0.18345(18) 0.5209(4) 0.56510(14) 0.0275(7) Uani d . 1 1 . .
H H36A 0.1673 0.6176 0.5551 0.041 Uiso calc R 1 1 A .
H H36B 0.2025 0.5149 0.6059 0.041 Uiso calc R 1 1 . .
H H36C 0.1408 0.4569 0.5547 0.041 Uiso calc R 1 1 . .
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'
Mg Mg 0.0486 0.0363 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
O1 Mg1 O13 . . 89.62(8)
O1 Mg1 O5 . . 98.14(9)
O13 Mg1 O5 . . 105.97(9)
O1 Mg1 O14 . . 173.16(9)
O13 Mg1 O14 . . 84.17(8)
O5 Mg1 O14 . . 86.35(8)
O1 Mg1 O10 . . 99.32(8)
O13 Mg1 O10 . . 155.37(9)
O5 Mg1 O10 . . 95.50(8)
O14 Mg1 O10 . . 85.30(8)
O1 Mg1 O9 . . 92.91(8)
O13 Mg1 O9 . . 96.53(8)
O5 Mg1 O9 . . 154.90(8)
O14 Mg1 O9 . . 84.98(8)
O10 Mg1 O9 . . 60.35(7)
O1 Mg1 C17 . . 99.35(8)
O13 Mg1 C17 . . 125.41(9)
O5 Mg1 C17 . . 125.37(9)
O14 Mg1 C17 . . 82.04(8)
O10 Mg1 C17 . . 30.63(7)
O9 Mg1 C17 . . 29.88(8)
O1 Mg1 Mg2 . . 75.75(6)
O13 Mg1 Mg2 . . 165.35(7)
O5 Mg1 Mg2 . . 77.27(6)
O14 Mg1 Mg2 . . 110.41(6)
O10 Mg1 Mg2 . . 32.40(5)
O9 Mg1 Mg2 . . 83.78(6)
C17 Mg1 Mg2 . . 58.04(6)
O6 Mg2 O3 . 2_655 178.51(9)
O6 Mg2 O2 . . 93.34(8)
O3 Mg2 O2 2_655 . 87.23(8)
O6 Mg2 O7 . 2 86.70(8)
O3 Mg2 O7 2_655 2 92.76(8)
O2 Mg2 O7 . 2 178.54(9)
O6 Mg2 O12 . 1_545 90.58(8)
O3 Mg2 O12 2_655 1_545 88.04(8)
O2 Mg2 O12 . 1_545 91.11(8)
O7 Mg2 O12 2 1_545 90.35(8)
O6 Mg2 O10 . . 86.62(8)
O3 Mg2 O10 2_655 . 94.77(8)
O2 Mg2 O10 . . 88.49(8)
O7 Mg2 O10 2 . 90.06(8)
O12 Mg2 O10 1_545 . 177.14(8)
O6 Mg2 Mg3 . . 112.48(6)
O3 Mg2 Mg3 2_655 . 66.04(6)
O2 Mg2 Mg3 . . 113.72(6)
O7 Mg2 Mg3 2 . 67.58(6)
O12 Mg2 Mg3 1_545 . 33.64(5)
O10 Mg2 Mg3 . . 148.63(6)
O6 Mg2 Mg1 . . 64.55(6)
O3 Mg2 Mg1 2_655 . 116.93(6)
O2 Mg2 Mg1 . . 66.24(6)
O7 Mg2 Mg1 2 . 112.51(6)
O12 Mg2 Mg1 1_545 . 143.84(6)
O10 Mg2 Mg1 . . 33.79(5)
Mg3 Mg2 Mg1 . . 176.90(3)
O16 Mg3 O4 . 2_655 100.97(9)
O16 Mg3 O8 . 2 89.38(8)
O4 Mg3 O8 2_655 2 96.67(9)
O16 Mg3 O15 . . 86.20(10)
O4 Mg3 O15 2_655 . 86.40(10)
O8 Mg3 O15 2 . 175.03(10)
O16 Mg3 O15B . . 79.4(12)
O4 Mg3 O15B 2_655 . 95.7(10)
O8 Mg3 O15B 2 . 164.7(9)
O15 Mg3 O15B . . 10.6(9)
O16 Mg3 O12 . 1_545 161.12(9)
O4 Mg3 O12 2_655 1_545 95.39(8)
O8 Mg3 O12 2 1_545 98.07(8)
O15 Mg3 O12 . 1_545 85.49(11)
O15B Mg3 O12 . 1_545 89.8(13)
O16 Mg3 O11 . 1_545 101.73(8)
O4 Mg3 O11 2_655 1_545 155.71(9)
O8 Mg3 O11 2 1_545 92.10(8)
O15 Mg3 O11 . 1_545 86.60(10)
O15B Mg3 O11 . 1_545 80.2(12)
O12 Mg3 O11 1_545 1_545 60.87(7)
O16 Mg3 C24 . 1_545 130.95(9)
O4 Mg3 C24 2_655 1_545 125.85(9)
O8 Mg3 C24 2 1_545 97.93(8)
O15 Mg3 C24 . 1_545 83.32(11)
O15B Mg3 C24 . 1_545 82.0(14)
O12 Mg3 C24 1_545 1_545 30.96(8)
O11 Mg3 C24 1_545 1_545 30.04(8)
O16 Mg3 Mg2 . . 163.43(7)
O4 Mg3 Mg2 2_655 . 76.26(6)
O8 Mg3 Mg2 2 . 74.89(6)
O15 Mg3 Mg2 . . 109.72(9)
O15B Mg3 Mg2 . . 117.1(12)
O12 Mg3 Mg2 1_545 . 32.27(5)
O11 Mg3 Mg2 1_545 . 84.30(6)
C24 Mg3 Mg2 1_545 . 58.19(6)
C1 O1 Mg1 . . 128.18(18)
C1 O2 Mg2 . . 141.34(17)
C8 O3 Mg2 . 2_645 140.36(18)
C8 O4 Mg3 . 2_645 126.01(17)
C9 O5 Mg1 . . 123.60(17)
C9 O6 Mg2 . . 142.32(18)
C16 O7 Mg2 . 2_545 140.37(17)
C16 O8 Mg3 . 2_545 130.02(17)
C17 O9 Mg1 . . 88.66(15)
C17 O10 Mg2 . . 131.15(16)
C17 O10 Mg1 . . 90.35(15)
Mg2 O10 Mg1 . . 113.81(9)
C24 O11 Mg3 . 1_565 88.98(15)
C24 O12 Mg2 . 1_565 131.40(16)
C24 O12 Mg3 . 1_565 89.52(15)
Mg2 O12 Mg3 1_565 1_565 114.08(9)
C25 O13 Mg1 . . 130.98(18)
C28 O14 Mg1 . . 123.08(18)
C34 O16 Mg3 . . 130.47(19)
C25 N1 C26 . . 121.1(3)
C25 N1 C27 . . 121.7(3)
C26 N1 C27 . . 117.0(3)
C28 N2 C29 . . 120.5(3)
C28 N2 C30 . . 122.5(3)
C29 N2 C30 . . 117.0(2)
C34 N4 C35 . . 120.0(3)
C34 N4 C36 . . 121.4(3)
C35 N4 C36 . . 118.6(3)
O2 C1 O1 . . 126.7(2)
O2 C1 C2 . . 116.5(2)
O1 C1 C2 . . 116.9(2)
C3 C2 C7 . . 119.2(2)
C3 C2 C1 . . 122.4(2)
C7 C2 C1 . . 118.4(2)
C2 C3 C4 . . 120.3(2)
C2 C3 H3 . . 119.9
C4 C3 H3 . . 119.9
C5 C4 C3 . . 120.1(2)
C5 C4 H4 . . 119.9
C3 C4 H4 . . 119.9
C6 C5 C4 . . 119.4(2)
C6 C5 C8 . . 119.3(2)
C4 C5 C8 . . 121.2(2)
C5 C6 C7 . . 120.3(3)
C5 C6 H6 . . 119.9
C7 C6 H6 . . 119.9
C6 C7 C2 . . 120.7(3)
C6 C7 H7 . . 119.7
C2 C7 H7 . . 119.7
O3 C8 O4 . . 126.1(2)
O3 C8 C5 . . 116.5(2)
O4 C8 C5 . . 117.4(2)
O6 C9 O5 . . 125.9(2)
O6 C9 C10 . . 116.7(2)
O5 C9 C10 . . 117.4(2)
C15 C10 C11 . . 119.2(2)
C15 C10 C9 . . 119.5(2)
C11 C10 C9 . . 121.3(2)
C12 C11 C10 . . 120.2(2)
C12 C11 H11 . . 119.9
C10 C11 H11 . . 119.9
C11 C12 C13 . . 120.5(2)
C11 C12 H12 . . 119.8
C13 C12 H12 . . 119.8
C14 C13 C12 . . 119.0(2)
C14 C13 C16 . . 120.0(2)
C12 C13 C16 . . 121.0(2)
C13 C14 C15 . . 120.6(3)
C13 C14 H14 . . 119.7
C15 C14 H14 . . 119.7
C10 C15 C14 . . 120.5(2)
C10 C15 H15 . . 119.8
C14 C15 H15 . . 119.8
O7 C16 O8 . . 126.4(2)
O7 C16 C13 . . 116.6(2)
O8 C16 C13 . . 117.0(2)
O9 C17 O10 . . 120.0(2)
O9 C17 C18 . . 121.5(2)
O10 C17 C18 . . 118.5(2)
O9 C17 Mg1 . . 61.46(14)
O10 C17 Mg1 . . 59.02(13)
C18 C17 Mg1 . . 170.10(17)
C23 C18 C19 . . 119.9(2)
C23 C18 C17 . . 119.5(2)
C19 C18 C17 . . 120.5(2)
C20 C19 C18 . . 120.1(2)
C20 C19 H19 . . 120.0
C18 C19 H19 . . 120.0
C19 C20 C21 . . 119.8(2)
C19 C20 H20 . . 120.1
C21 C20 H20 . . 120.1
C20 C21 C22 . . 120.2(2)
C20 C21 C24 . . 120.2(2)
C22 C21 C24 . . 119.5(2)
C23 C22 C21 . . 119.9(2)
C23 C22 H22 . . 120.1
C21 C22 H22 . . 120.1
C18 C23 C22 . . 120.1(2)
C18 C23 H23 . . 120.0
C22 C23 H23 . . 120.0
O11 C24 O12 . . 120.1(2)
O11 C24 C21 . . 120.8(2)
O12 C24 C21 . . 119.0(2)
O11 C24 Mg3 . 1_565 60.98(14)
O12 C24 Mg3 . 1_565 59.53(13)
C21 C24 Mg3 . 1_565 169.95(18)
O13 C25 N1 . . 124.3(3)
O13 C25 H25 . . 117.9
N1 C25 H25 . . 117.9
N1 C26 H26A . . 109.5
N1 C26 H26B . . 109.5
H26A C26 H26B . . 109.5
N1 C26 H26C . . 109.5
H26A C26 H26C . . 109.5
H26B C26 H26C . . 109.5
N1 C27 H27A . . 109.5
N1 C27 H27B . . 109.5
H27A C27 H27B . . 109.5
N1 C27 H27C . . 109.5
H27A C27 H27C . . 109.5
H27B C27 H27C . . 109.5
O14 C28 N2 . . 124.3(3)
O14 C28 H28 . . 117.8
N2 C28 H28 . . 117.8
N2 C29 H29A . . 109.5
N2 C29 H29B . . 109.5
H29A C29 H29B . . 109.5
N2 C29 H29C . . 109.5
H29A C29 H29C . . 109.5
H29B C29 H29C . . 109.5
N2 C30 H30A . . 109.5
N2 C30 H30B . . 109.5
H30A C30 H30B . . 109.5
N2 C30 H30C . . 109.5
H30A C30 H30C . . 109.5
H30B C30 H30C . . 109.5
C31 O15 Mg3 . . 119.9(2)
O15 C31 N3 . . 125.7(3)
O15 C31 H31 . . 117.1
N3 C31 H31 . . 117.1
C31 N3 C33 . . 120.8(3)
C31 N3 C32 . . 121.8(3)
C33 N3 C32 . . 117.2(3)
C31B O15B Mg3 . . 130(3)
O15B C31B N3B . . 126(3)
O15B C31B H31B . . 117.2
N3B C31B H31B . . 117.2
C31B N3B C33B . . 123(2)
C31B N3B C32B . . 121(2)
C33B N3B C32B . . 114(2)
N3B C32B H32D . . 109.5
N3B C32B H32E . . 109.5
H32D C32B H32E . . 109.5
N3B C32B H32F . . 109.5
H32D C32B H32F . . 109.5
H32E C32B H32F . . 109.5
N3B C33B H33D . . 109.5
N3B C33B H33E . . 109.5
H33D C33B H33E . . 109.5
N3B C33B H33F . . 109.5
H33D C33B H33F . . 109.5
H33E C33B H33F . . 109.5
O16 C34 N4 . . 124.0(3)
O16 C34 H34 . . 118.0
N4 C34 H34 . . 118.0
N4 C35 H35A . . 109.5
N4 C35 H35B . . 109.5
H35A C35 H35B . . 109.5
N4 C35 H35C . . 109.5
H35A C35 H35C . . 109.5
H35B C35 H35C . . 109.5
N4 C36 H36A . . 109.5
N4 C36 H36B . . 109.5
H36A C36 H36B . . 109.5
N4 C36 H36C . . 109.5
H36A C36 H36C . . 109.5
H36B C36 H36C . . 109.5
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
Mg1 O1 . 2.024(2)
Mg1 O13 . 2.036(2)
Mg1 O5 . 2.042(2)
Mg1 O14 . 2.103(2)
Mg1 O10 . 2.162(2)
Mg1 O9 . 2.217(2)
Mg1 C17 . 2.522(3)
Mg1 Mg2 . 3.5575(13)
Mg2 O6 . 2.0393(19)
Mg2 O3 2_655 2.046(2)
Mg2 O2 . 2.0614(19)
Mg2 O7 2 2.0619(19)
Mg2 O12 1_545 2.079(2)
Mg2 O10 . 2.0837(19)
Mg2 Mg3 . 3.5550(13)
Mg3 O16 . 2.013(2)
Mg3 O4 2_655 2.028(2)
Mg3 O8 2 2.0338(19)
Mg3 O15 . 2.120(2)
Mg3 O15B . 2.127(18)
Mg3 O12 1_545 2.157(2)
Mg3 O11 1_545 2.189(2)
Mg3 C24 1_545 2.503(3)
O1 C1 . 1.266(3)
O2 C1 . 1.248(3)
O3 C8 . 1.254(3)
O3 Mg2 2_645 2.0456(19)
O4 C8 . 1.265(3)
O4 Mg3 2_645 2.028(2)
O5 C9 . 1.270(3)
O6 C9 . 1.246(3)
O7 C16 . 1.251(3)
O7 Mg2 2_545 2.0618(19)
O8 C16 . 1.266(3)
O8 Mg3 2_545 2.0338(19)
O9 C17 . 1.257(3)
O10 C17 . 1.285(3)
O11 C24 . 1.253(3)
O11 Mg3 1_565 2.189(2)
O12 C24 . 1.288(3)
O12 Mg2 1_565 2.079(2)
O12 Mg3 1_565 2.157(2)
O13 C25 . 1.244(3)
O14 C28 . 1.242(3)
O16 C34 . 1.242(3)
N1 C25 . 1.318(4)
N1 C26 . 1.461(4)
N1 C27 . 1.461(4)
N2 C28 . 1.324(3)
N2 C29 . 1.447(4)
N2 C30 . 1.453(4)
N4 C34 . 1.312(4)
N4 C35 . 1.463(4)
N4 C36 . 1.468(4)
C1 C2 . 1.515(3)
C2 C3 . 1.388(4)
C2 C7 . 1.394(4)
C3 C4 . 1.399(4)
C3 H3 . 0.9500
C4 C5 . 1.399(4)
C4 H4 . 0.9500
C5 C6 . 1.383(4)
C5 C8 . 1.516(3)
C6 C7 . 1.393(4)
C6 H6 . 0.9500
C7 H7 . 0.9500
C9 C10 . 1.516(3)
C10 C15 . 1.388(4)
C10 C11 . 1.400(4)
C11 C12 . 1.390(4)
C11 H11 . 0.9500
C12 C13 . 1.396(4)
C12 H12 . 0.9500
C13 C14 . 1.390(4)
C13 C16 . 1.514(3)
C14 C15 . 1.392(4)
C14 H14 . 0.9500
C15 H15 . 0.9500
C17 C18 . 1.497(4)
C18 C23 . 1.390(4)
C18 C19 . 1.397(4)
C19 C20 . 1.390(4)
C19 H19 . 0.9500
C20 C21 . 1.391(4)
C20 H20 . 0.9500
C21 C22 . 1.396(4)
C21 C24 . 1.496(4)
C22 C23 . 1.390(4)
C22 H22 . 0.9500
C23 H23 . 0.9500
C24 Mg3 1_565 2.503(3)
C25 H25 . 0.9500
C26 H26A . 0.9800
C26 H26B . 0.9800
C26 H26C . 0.9800
C27 H27A . 0.9800
C27 H27B . 0.9800
C27 H27C . 0.9800
C28 H28 . 0.9500
C29 H29A . 0.9800
C29 H29B . 0.9800
C29 H29C . 0.9800
C30 H30A . 0.9800
C30 H30B . 0.9800
C30 H30C . 0.9800
O15 C31 . 1.237(4)
C31 N3 . 1.314(4)
C31 H31 . 0.9500
N3 C33 . 1.448(5)
N3 C32 . 1.465(4)
C32 H32A . 0.9800
C32 H32B . 0.9800
C32 H32C . 0.9800
C33 H33A . 0.9800
C33 H33B . 0.9800
C33 H33C . 0.9800
O15B C31B . 1.250(19)
C31B N3B . 1.318(18)
C31B H31B . 0.9500
N3B C33B . 1.448(18)
N3B C32B . 1.473(19)
C32B H32D . 0.9800
C32B H32E . 0.9800
C32B H32F . 0.9800
C33B H33D . 0.9800
C33B H33E . 0.9800
C33B H33F . 0.9800
C34 H34 . 0.9500
C35 H35A . 0.9800
C35 H35B . 0.9800
C35 H35C . 0.9800
C36 H36A . 0.9800
C36 H36B . 0.9800
C36 H36C . 0.9800
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_site_symmetry_1
_geom_torsion_site_symmetry_4
_geom_torsion
O1 Mg1 Mg2 O6 . . -98.15(9)
O13 Mg1 Mg2 O6 . . -100.7(3)
O5 Mg1 Mg2 O6 . . 3.81(8)
O14 Mg1 Mg2 O6 . . 84.97(9)
O10 Mg1 Mg2 O6 . . 126.44(11)
O9 Mg1 Mg2 O6 . . 167.24(8)
C17 Mg1 Mg2 O6 . . 150.99(9)
O1 Mg1 Mg2 O3 . 2_655 81.68(9)
O13 Mg1 Mg2 O3 . 2_655 79.1(3)
O5 Mg1 Mg2 O3 . 2_655 -176.36(9)
O14 Mg1 Mg2 O3 . 2_655 -95.20(9)
O10 Mg1 Mg2 O3 . 2_655 -53.73(11)
O9 Mg1 Mg2 O3 . 2_655 -12.93(9)
C17 Mg1 Mg2 O3 . 2_655 -29.18(9)
O1 Mg1 Mg2 O2 . . 8.12(9)
O13 Mg1 Mg2 O2 . . 5.5(3)
O5 Mg1 Mg2 O2 . . 110.07(9)
O14 Mg1 Mg2 O2 . . -168.77(9)
O10 Mg1 Mg2 O2 . . -127.30(11)
O9 Mg1 Mg2 O2 . . -86.50(8)
C17 Mg1 Mg2 O2 . . -102.74(9)
O1 Mg1 Mg2 O7 . 2 -172.71(9)
O13 Mg1 Mg2 O7 . 2 -175.3(3)
O5 Mg1 Mg2 O7 . 2 -70.76(9)
O14 Mg1 Mg2 O7 . 2 10.41(10)
O10 Mg1 Mg2 O7 . 2 51.87(11)
O9 Mg1 Mg2 O7 . 2 92.68(8)
C17 Mg1 Mg2 O7 . 2 76.43(9)
O1 Mg1 Mg2 O12 . 1_545 -47.37(12)
O13 Mg1 Mg2 O12 . 1_545 -50.0(3)
O5 Mg1 Mg2 O12 . 1_545 54.58(11)
O14 Mg1 Mg2 O12 . 1_545 135.75(11)
O10 Mg1 Mg2 O12 . 1_545 177.21(14)
O9 Mg1 Mg2 O12 . 1_545 -141.99(11)
C17 Mg1 Mg2 O12 . 1_545 -158.23(12)
O1 Mg1 Mg2 O10 . . 135.42(11)
O13 Mg1 Mg2 O10 . . 132.8(3)
O5 Mg1 Mg2 O10 . . -122.63(11)
O14 Mg1 Mg2 O10 . . -41.47(11)
O9 Mg1 Mg2 O10 . . 40.80(10)
C17 Mg1 Mg2 O10 . . 24.56(11)
O6 Mg2 Mg3 O16 . . -100.1(2)
O3 Mg2 Mg3 O16 2_655 . 80.0(2)
O2 Mg2 Mg3 O16 . . 155.4(2)
O7 Mg2 Mg3 O16 2 . -23.9(2)
O12 Mg2 Mg3 O16 1_545 . -153.1(3)
O10 Mg2 Mg3 O16 . . 23.7(3)
O6 Mg2 Mg3 O4 . 2_655 177.61(9)
O3 Mg2 Mg3 O4 2_655 2_655 -2.25(8)
O2 Mg2 Mg3 O4 . 2_655 73.09(9)
O7 Mg2 Mg3 O4 2 2_655 -106.16(9)
O12 Mg2 Mg3 O4 1_545 2_655 124.63(11)
O10 Mg2 Mg3 O4 . 2_655 -58.60(13)
O6 Mg2 Mg3 O8 . 2 -81.45(9)
O3 Mg2 Mg3 O8 2_655 2 98.69(9)
O2 Mg2 Mg3 O8 . 2 174.04(9)
O7 Mg2 Mg3 O8 2 2 -5.22(8)
O12 Mg2 Mg3 O8 1_545 2 -134.43(11)
O10 Mg2 Mg3 O8 . 2 42.34(13)
O6 Mg2 Mg3 O15 . . 96.60(11)
O3 Mg2 Mg3 O15 2_655 . -83.26(11)
O2 Mg2 Mg3 O15 . . -7.92(12)
O7 Mg2 Mg3 O15 2 . 172.82(11)
O12 Mg2 Mg3 O15 1_545 . 43.62(12)
O10 Mg2 Mg3 O15 . . -139.61(14)
O6 Mg2 Mg3 O15B . . 88.2(12)
O3 Mg2 Mg3 O15B 2_655 . -91.7(12)
O2 Mg2 Mg3 O15B . . -16.3(12)
O7 Mg2 Mg3 O15B 2 . 164.4(12)
O12 Mg2 Mg3 O15B 1_545 . 35.2(12)
O10 Mg2 Mg3 O15B . . -148.0(12)
O6 Mg2 Mg3 O12 . 1_545 52.98(11)
O3 Mg2 Mg3 O12 2_655 1_545 -126.88(11)
O2 Mg2 Mg3 O12 . 1_545 -51.54(11)
O7 Mg2 Mg3 O12 2 1_545 129.21(11)
O10 Mg2 Mg3 O12 . 1_545 176.77(15)
O6 Mg2 Mg3 O11 . 1_545 12.28(8)
O3 Mg2 Mg3 O11 2_655 1_545 -167.58(8)
O2 Mg2 Mg3 O11 . 1_545 -92.23(9)
O7 Mg2 Mg3 O11 2 1_545 88.51(8)
O12 Mg2 Mg3 O11 1_545 1_545 -40.70(10)
O10 Mg2 Mg3 O11 . 1_545 136.07(12)
O6 Mg2 Mg3 C24 . 1_545 28.17(9)
O3 Mg2 Mg3 C24 2_655 1_545 -151.69(9)
O2 Mg2 Mg3 C24 . 1_545 -76.35(10)
O7 Mg2 Mg3 C24 2 1_545 104.40(9)
O12 Mg2 Mg3 C24 1_545 1_545 -24.81(11)
O10 Mg2 Mg3 C24 . 1_545 151.96(13)
O13 Mg1 O1 C1 . . 170.4(2)
O5 Mg1 O1 C1 . . -83.5(2)
O10 Mg1 O1 C1 . . 13.5(2)
O9 Mg1 O1 C1 . . 73.9(2)
C17 Mg1 O1 C1 . . 44.5(2)
Mg2 Mg1 O1 C1 . . -8.9(2)
O6 Mg2 O2 C1 . . 45.6(3)
O3 Mg2 O2 C1 2_655 . -135.8(3)
O12 Mg2 O2 C1 1_545 . 136.3(3)
O10 Mg2 O2 C1 . . -40.9(3)
Mg1 Mg2 O2 C1 . . -14.6(3)
O1 Mg1 O5 C9 . . 81.0(2)
O13 Mg1 O5 C9 . . 172.94(19)
O14 Mg1 O5 C9 . . -104.2(2)
O10 Mg1 O5 C9 . . -19.3(2)
O9 Mg1 O5 C9 . . -34.2(3)
C17 Mg1 O5 C9 . . -26.6(2)
Mg2 Mg1 O5 C9 . . 7.69(18)
O2 Mg2 O6 C9 . . -85.1(3)
O7 Mg2 O6 C9 2 . 93.4(3)
O12 Mg2 O6 C9 1_545 . -176.3(3)
O10 Mg2 O6 C9 . . 3.1(3)
Mg3 Mg2 O6 C9 . . 157.5(3)
Mg1 Mg2 O6 C9 . . -23.5(3)
O1 Mg1 O9 C17 . . -103.77(15)
O13 Mg1 O9 C17 . . 166.29(15)
O5 Mg1 O9 C17 . . 12.5(3)
O14 Mg1 O9 C17 . . 82.75(15)
O10 Mg1 O9 C17 . . -4.69(13)
Mg2 Mg1 O9 C17 . . -28.45(13)
O6 Mg2 O10 C17 . . -159.9(2)
O3 Mg2 O10 C17 2_655 . 20.6(2)
O2 Mg2 O10 C17 . . -66.5(2)
O7 Mg2 O10 C17 2 . 113.4(2)
Mg3 Mg2 O10 C17 . . 70.4(3)
Mg1 Mg2 O10 C17 . . -113.2(2)
O6 Mg2 O10 Mg1 . . -46.69(9)
O3 Mg2 O10 Mg1 2_655 . 133.84(9)
O2 Mg2 O10 Mg1 . . 46.74(10)
O7 Mg2 O10 Mg1 2 . -133.39(9)
Mg3 Mg2 O10 Mg1 . . -176.40(6)
O1 Mg1 O10 C17 . . 92.63(14)
O13 Mg1 O10 C17 . . -17.4(3)
O5 Mg1 O10 C17 . . -168.17(14)
O14 Mg1 O10 C17 . . -82.30(14)
O9 Mg1 O10 C17 . . 4.59(13)
Mg2 Mg1 O10 C17 . . 136.21(17)
O1 Mg1 O10 Mg2 . . -43.59(10)
O13 Mg1 O10 Mg2 . . -153.57(16)
O5 Mg1 O10 Mg2 . . 55.62(10)
O14 Mg1 O10 Mg2 . . 141.49(10)
O9 Mg1 O10 Mg2 . . -131.63(11)
C17 Mg1 O10 Mg2 . . -136.21(17)
O1 Mg1 O13 C25 . . -39.9(3)
O5 Mg1 O13 C25 . . -138.3(2)
O14 Mg1 O13 C25 . . 137.2(3)
O10 Mg1 O13 C25 . . 72.1(3)
O9 Mg1 O13 C25 . . 53.0(3)
C17 Mg1 O13 C25 . . 61.3(3)
Mg2 Mg1 O13 C25 . . -37.4(5)
O13 Mg1 O14 C28 . . 152.1(2)
O5 Mg1 O14 C28 . . 45.6(2)
O10 Mg1 O14 C28 . . -50.2(2)
O9 Mg1 O14 C28 . . -110.8(2)
C17 Mg1 O14 C28 . . -80.8(2)
Mg2 Mg1 O14 C28 . . -29.3(2)
O4 Mg3 O16 C34 2_655 . 101.4(3)
O8 Mg3 O16 C34 2 . 4.7(3)
O15 Mg3 O16 C34 . . -173.0(3)
O15B Mg3 O16 C34 . . -164.8(11)
O12 Mg3 O16 C34 1_545 . -109.0(3)
O11 Mg3 O16 C34 1_545 . -87.3(3)
C24 Mg3 O16 C34 1_545 . -95.3(3)
Mg2 Mg3 O16 C34 . . 22.7(4)
Mg2 O2 C1 O1 . . 13.8(5)
Mg2 O2 C1 C2 . . -165.9(2)
Mg1 O1 C1 O2 . . 4.3(4)
Mg1 O1 C1 C2 . . -175.96(17)
O2 C1 C2 C3 . . 163.9(3)
O1 C1 C2 C3 . . -15.9(4)
O2 C1 C2 C7 . . -15.3(4)
O1 C1 C2 C7 . . 164.9(3)
C7 C2 C3 C4 . . 2.5(4)
C1 C2 C3 C4 . . -176.7(3)
C2 C3 C4 C5 . . -0.8(4)
C3 C4 C5 C6 . . -1.7(4)
C3 C4 C5 C8 . . 175.4(3)
C4 C5 C6 C7 . . 2.5(5)
C8 C5 C6 C7 . . -174.6(3)
C5 C6 C7 C2 . . -0.8(6)
C3 C2 C7 C6 . . -1.7(5)
C1 C2 C7 C6 . . 177.5(3)
Mg2 O3 C8 O4 2_645 . -34.2(4)
Mg2 O3 C8 C5 2_645 . 144.0(2)
Mg3 O4 C8 O3 2_645 . 24.5(4)
Mg3 O4 C8 C5 2_645 . -153.63(18)
C6 C5 C8 O3 . . 2.9(4)
C4 C5 C8 O3 . . -174.2(3)
C6 C5 C8 O4 . . -178.8(3)
C4 C5 C8 O4 . . 4.1(4)
Mg2 O6 C9 O5 . . 39.7(5)
Mg2 O6 C9 C10 . . -138.9(2)
Mg1 O5 C9 O6 . . -24.4(4)
Mg1 O5 C9 C10 . . 154.17(18)
O6 C9 C10 C15 . . 10.5(4)
O5 C9 C10 C15 . . -168.1(3)
O6 C9 C10 C11 . . -171.5(2)
O5 C9 C10 C11 . . 9.8(4)
C15 C10 C11 C12 . . 0.2(4)
C9 C10 C11 C12 . . -177.7(3)
C10 C11 C12 C13 . . 1.4(4)
C11 C12 C13 C14 . . -2.1(4)
C11 C12 C13 C16 . . 178.1(3)
C12 C13 C14 C15 . . 1.3(5)
C16 C13 C14 C15 . . -178.9(3)
C11 C10 C15 C14 . . -1.0(4)
C9 C10 C15 C14 . . 177.0(3)
C13 C14 C15 C10 . . 0.3(5)
Mg2 O7 C16 O8 2_545 . -9.1(5)
Mg2 O7 C16 C13 2_545 . 170.08(19)
Mg3 O8 C16 O7 2_545 . -2.5(4)
Mg3 O8 C16 C13 2_545 . 178.32(17)
C14 C13 C16 O7 . . 6.4(4)
C12 C13 C16 O7 . . -173.8(2)
C14 C13 C16 O8 . . -174.4(3)
C12 C13 C16 O8 . . 5.4(4)
Mg1 O9 C17 O10 . . 7.9(2)
Mg1 O9 C17 C18 . . -169.1(2)
Mg2 O10 C17 O9 . . 114.6(2)
Mg1 O10 C17 O9 . . -8.1(2)
Mg2 O10 C17 C18 . . -68.3(3)
Mg1 O10 C17 C18 . . 168.96(19)
Mg2 O10 C17 Mg1 . . 122.78(19)
O1 Mg1 C17 O9 . . 79.45(15)
O13 Mg1 C17 O9 . . -16.80(18)
O5 Mg1 C17 O9 . . -173.53(14)
O14 Mg1 C17 O9 . . -93.78(15)
O10 Mg1 C17 O9 . . 172.0(2)
Mg2 Mg1 C17 O9 . . 146.06(16)
O1 Mg1 C17 O10 . . -92.53(14)
O13 Mg1 C17 O10 . . 171.22(13)
O5 Mg1 C17 O10 . . 14.49(17)
O14 Mg1 C17 O10 . . 94.24(14)
O9 Mg1 C17 O10 . . -172.0(2)
Mg2 Mg1 C17 O10 . . -25.92(11)
O9 C17 C18 C23 . . 156.9(2)
O10 C17 C18 C23 . . -20.2(3)
O9 C17 C18 C19 . . -21.0(4)
O10 C17 C18 C19 . . 162.0(2)
C23 C18 C19 C20 . . 0.8(4)
C17 C18 C19 C20 . . 178.6(2)
C18 C19 C20 C21 . . -0.7(4)
C19 C20 C21 C22 . . 0.3(4)
C19 C20 C21 C24 . . 177.0(2)
C20 C21 C22 C23 . . 0.1(4)
C24 C21 C22 C23 . . -176.6(2)
C19 C18 C23 C22 . . -0.4(4)
C17 C18 C23 C22 . . -178.2(2)
C21 C22 C23 C18 . . -0.1(4)
Mg3 O11 C24 O12 1_565 . -7.1(2)
Mg3 O11 C24 C21 1_565 . 168.6(2)
Mg2 O12 C24 O11 1_565 . -115.2(2)
Mg3 O12 C24 O11 1_565 . 7.2(2)
Mg2 O12 C24 C21 1_565 . 69.0(3)
Mg3 O12 C24 C21 1_565 . -168.5(2)
Mg2 O12 C24 Mg3 1_565 1_565 -122.45(19)
C20 C21 C24 O11 . . -156.0(2)
C22 C21 C24 O11 . . 20.7(4)
C20 C21 C24 O12 . . 19.7(4)
C22 C21 C24 O12 . . -163.6(2)
C20 C21 C24 Mg3 . 1_565 -59.0(12)
C22 C21 C24 Mg3 . 1_565 117.7(10)
Mg1 O13 C25 N1 . . -119.3(3)
C26 N1 C25 O13 . . -2.7(4)
C27 N1 C25 O13 . . -176.8(3)
Mg1 O14 C28 N2 . . -166.9(2)
C29 N2 C28 O14 . . 0.9(5)
C30 N2 C28 O14 . . -179.0(3)
O16 Mg3 O15 C31 . . -153.7(3)
O4 Mg3 O15 C31 2_655 . -52.5(3)
O15B Mg3 O15 C31 . . 157(8)
O12 Mg3 O15 C31 1_545 . 43.2(3)
O11 Mg3 O15 C31 1_545 . 104.3(3)
C24 Mg3 O15 C31 1_545 . 74.3(3)
Mg2 Mg3 O15 C31 . . 21.6(3)
Mg3 O15 C31 N3 . . 172.7(3)
O15 C31 N3 C33 . . 0.0(6)
O15 C31 N3 C32 . . 175.8(4)
O16 Mg3 O15B C31B . . -109(4)
O4 Mg3 O15B C31B 2_655 . -9(4)
O8 Mg3 O15B C31B 2 . -152(3)
O15 Mg3 O15B C31B . . 21(5)
O12 Mg3 O15B C31B 1_545 . 87(4)
O11 Mg3 O15B C31B 1_545 . 147(5)
C24 Mg3 O15B C31B 1_545 . 117(4)
Mg2 Mg3 O15B C31B . . 69(5)
Mg3 O15B C31B N3B . . -117(5)
O15B C31B N3B C33B . . 178(5)
O15B C31B N3B C32B . . 15(7)
Mg3 O16 C34 N4 . . -108.5(3)
C35 N4 C34 O16 . . -1.6(5)
C36 N4 C34 O16 . . -179.3(3)
