#------------------------------------------------------------------------------
#$Date: 2019-11-08 01:13:23 +0200 (Fri, 08 Nov 2019) $
#$Revision: 224444 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/90/7049090.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_7049090
loop_
_publ_author_name
'Banerjee, Sumanta'
'Ankur, ?'
'Andrews, Alex P.'
'Varghese, Babu'
'Venugopal, Ajay'
_publ_section_title
;
 Amidomagnesium cations.
;
_journal_issue                   21
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              7313
_journal_page_last               7319
_journal_paper_doi               10.1039/c8dt05095c
_journal_volume                  48
_journal_year                    2019
_chemical_formula_moiety
'2(C16 H42 N5 Si2 Mg)+ 2(C24 F20 B1)+ 0.5(C3 H7)'
_chemical_formula_sum            'C81.5 H87.5 B2 F40 Mg2 N10 Si4'
_chemical_formula_weight         2149.71
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2017/1
_audit_update_record
;
2019-02-18 deposited with the CCDC.    2019-02-21 downloaded from the CCDC.
;
_cell_angle_alpha                107.115(2)
_cell_angle_beta                 93.834(2)
_cell_angle_gamma                100.549(2)
_cell_formula_units_Z            2
_cell_length_a                   13.2058(8)
_cell_length_b                   17.3404(11)
_cell_length_c                   22.4899(14)
_cell_measurement_reflns_used    9978
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      21.45
_cell_measurement_theta_min      2.32
_cell_volume                     4798.7(5)
_computing_cell_refinement       'APEX3/SAINT (Bruker, 2016)'
_computing_data_collection       'APEX3 (Bruker, 2016)'
_computing_data_reduction        'SAINT/XPREP (Bruker, 2016)'
_computing_molecular_graphics
'ORTEP3 (Farrugia, 1997) and Mercury (Bruno et al., 2002)'
_computing_publication_material  'SHELXL-2017/1 (Sheldrick, 2017)'
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker KAPPA APEX-II CCD'
_diffrn_measurement_method       'ω and φ scan'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0733
_diffrn_reflns_av_unetI/netI     0.0512
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            131080
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        24.999
_diffrn_reflns_theta_max         24.999
_diffrn_reflns_theta_min         1.911
_diffrn_source                   'Sealed tube'
_exptl_absorpt_coefficient_mu    0.201
_exptl_absorpt_correction_T_max  0.976
_exptl_absorpt_correction_T_min  0.961
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2016)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.488
_exptl_crystal_description       block
_exptl_crystal_F_000             2193
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.180
_exptl_crystal_size_min          0.120
_refine_diff_density_max         1.411
_refine_diff_density_min         -1.140
_refine_diff_density_rms         0.088
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2015
_refine_ls_number_reflns         16906
_refine_ls_number_restraints     5383
_refine_ls_restrained_S_all      0.964
_refine_ls_R_factor_all          0.1283
_refine_ls_R_factor_gt           0.0795
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1248P)²+13.1634P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2082
_refine_ls_wR_factor_ref         0.2559
_reflns_Friedel_coverage         0.000
_reflns_number_gt                10480
_reflns_number_total             16906
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c8dt05095c2.cif
_cod_data_source_block           Compound1
_cod_depositor_comments
'Adding full bibliography for 7049090--7049096.cif.'
_cod_original_formula_sum        'C81.50 H87.50 B2 F40 Mg2 N10 Si4'
_cod_database_code               7049090
_shelx_shelxl_version_number     2017/1
_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.
;
_shelx_estimated_absorpt_t_min   0.961
_shelx_estimated_absorpt_t_max   0.976
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
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
C1 C 0.1887(4) 0.8279(3) 0.6843(2) 0.0318(10) Uani 1 1 d D U . . .
C2 C 0.0901(4) 0.8421(3) 0.6730(2) 0.0317(10) Uani 1 1 d . U . . .
C3 C 0.0489(4) 0.9021(3) 0.7119(2) 0.0370(11) Uani 1 1 d . U . . .
C4 C 0.1072(4) 0.9530(3) 0.7667(3) 0.0440(12) Uani 1 1 d . U . . .
C5 C 0.2055(4) 0.9421(3) 0.7807(2) 0.0440(13) Uani 1 1 d . U . . .
C6 C 0.2428(4) 0.8804(3) 0.7405(3) 0.0393(12) Uani 1 1 d . U . . .
C7 C 0.1386(3) 0.6694(3) 0.6447(2) 0.0279(10) Uani 1 1 d D U . . .
C8 C 0.1418(4) 0.6572(3) 0.7030(2) 0.0331(10) Uani 1 1 d . U . . .
C9 C 0.0714(4) 0.6000(3) 0.7180(2) 0.0362(11) Uani 1 1 d . U . . .
C10 C -0.0096(4) 0.5501(3) 0.6737(2) 0.0377(11) Uani 1 1 d . U . . .
C11 C -0.0176(4) 0.5599(3) 0.6154(2) 0.0343(11) Uani 1 1 d . U . . .
C12 C 0.0550(4) 0.6185(3) 0.6022(2) 0.0309(10) Uani 1 1 d . U . . .
C19 C 0.2153(4) 0.7471(3) 0.5612(2) 0.0371(11) Uani 1 1 d D U . . .
C20 C 0.2002(4) 0.8111(4) 0.5385(3) 0.0493(13) Uani 1 1 d . U . . .
C21 C 0.1994(5) 0.8073(4) 0.4762(3) 0.0626(16) Uani 1 1 d . U . . .
C22 C 0.2175(5) 0.7380(5) 0.4333(3) 0.0641(17) Uani 1 1 d . U . . .
C23 C 0.2372(5) 0.6746(4) 0.4534(3) 0.0546(15) Uani 1 1 d . U . . .
C24 C 0.2349(4) 0.6801(3) 0.5155(3) 0.0415(12) Uani 1 1 d . U . . .
B1 B 0.2226(4) 0.7480(3) 0.6354(3) 0.0327(12) Uani 1 1 d D U . . .
F1 F 0.02793(19) 0.79348(17) 0.61960(12) 0.0359(6) Uani 1 1 d . U . . .
F2 F -0.0476(2) 0.91122(19) 0.69681(16) 0.0511(8) Uani 1 1 d . U . . .
F3 F 0.0701(3) 1.0131(2) 0.80557(17) 0.0667(10) Uani 1 1 d . U . . .
F4 F 0.2652(3) 0.99270(19) 0.83393(16) 0.0644(10) Uani 1 1 d . U . . .
F5 F 0.3391(2) 0.87296(19) 0.75965(16) 0.0554(9) Uani 1 1 d . U . . .
F6 F 0.2183(2) 0.70467(17) 0.74924(13) 0.0422(7) Uani 1 1 d . U . . .
F7 F 0.0795(3) 0.5919(2) 0.77564(14) 0.0541(8) Uani 1 1 d . U . . .
F8 F -0.0793(2) 0.49276(19) 0.68731(16) 0.0508(8) Uani 1 1 d . U . . .
F9 F -0.0954(2) 0.51178(18) 0.57093(15) 0.0497(8) Uani 1 1 d . U . . .
F10 F 0.0381(2) 0.62386(18) 0.54369(12) 0.0397(7) Uani 1 1 d . U . . .
F16 F 0.1853(3) 0.8829(2) 0.57736(17) 0.0602(9) Uani 1 1 d . U . . .
F17 F 0.1816(4) 0.8713(3) 0.4582(2) 0.0922(14) Uani 1 1 d . U . . .
F18 F 0.2189(4) 0.7335(3) 0.37281(19) 0.0983(15) Uani 1 1 d . U . . .
F19 F 0.2605(3) 0.6074(2) 0.41256(16) 0.0669(10) Uani 1 1 d . U . . .
F20 F 0.2540(2) 0.61425(17) 0.53181(14) 0.0453(7) Uani 1 1 d . U . . .
C13 C 0.3455(6) 0.7427(8) 0.6466(4) 0.028(2) Uani 0.731(8) 1 d D U P A 1
C14 C 0.3809(13) 0.6775(12) 0.6554(6) 0.031(2) Uani 0.731(8) 1 d . U P A 1
C15 C 0.4865(10) 0.6743(7) 0.6611(4) 0.033(2) Uani 0.731(8) 1 d . U P A 1
C16 C 0.5588(6) 0.7400(5) 0.6577(4) 0.0352(16) Uani 0.731(8) 1 d . U P A 1
C17 C 0.5250(5) 0.8072(4) 0.6481(4) 0.0332(15) Uani 0.731(8) 1 d . U P A 1
C18 C 0.4208(6) 0.8062(5) 0.6427(4) 0.0329(16) Uani 0.731(8) 1 d . U P A 1
F11 F 0.3214(18) 0.6076(15) 0.6614(8) 0.038(4) Uani 0.731(8) 1 d . U P A 1
F12 F 0.5168(13) 0.6069(9) 0.6674(5) 0.043(2) Uani 0.731(8) 1 d . U P A 1
F13 F 0.6611(4) 0.7413(3) 0.6642(3) 0.0437(12) Uani 0.731(8) 1 d . U P A 1
F14 F 0.5954(3) 0.8708(3) 0.6423(3) 0.0459(14) Uani 0.731(8) 1 d . U P A 1
F15 F 0.3940(4) 0.8732(3) 0.6325(3) 0.0381(13) Uani 0.731(8) 1 d . U P A 1
C13' C 0.3426(16) 0.748(3) 0.6635(13) 0.032(4) Uani 0.269(8) 1 d D U P A 2
C14' C 0.391(4) 0.680(3) 0.6679(18) 0.032(4) Uani 0.269(8) 1 d . U P A 2
C15' C 0.491(3) 0.684(2) 0.6803(13) 0.034(4) Uani 0.269(8) 1 d . U P A 2
C16' C 0.5609(16) 0.7525(14) 0.6904(12) 0.037(3) Uani 0.269(8) 1 d . U P A 2
C17' C 0.5278(15) 0.8210(12) 0.6853(11) 0.035(3) Uani 0.269(8) 1 d . U P A 2
C18' C 0.4283(18) 0.8202(14) 0.6720(11) 0.033(3) Uani 0.269(8) 1 d . U P A 2
F11' F 0.314(4) 0.608(3) 0.650(2) 0.021(5) Uani 0.269(8) 1 d . U P A 2
F12' F 0.523(4) 0.618(3) 0.6858(13) 0.044(6) Uani 0.269(8) 1 d . U P A 2
F13' F 0.6639(10) 0.7555(9) 0.7027(9) 0.051(4) Uani 0.269(8) 1 d . U P A 2
F14' F 0.6014(8) 0.8939(7) 0.6933(7) 0.047(3) Uani 0.269(8) 1 d . U P A 2
F15' F 0.3992(12) 0.8888(9) 0.6658(7) 0.037(3) Uani 0.269(8) 1 d . U P A 2
C25 C 0.2294(4) 0.3847(4) 0.1828(2) 0.0485(14) Uani 1 1 d D U . . .
C26 C 0.2642(4) 0.4149(3) 0.2465(2) 0.0369(11) Uani 1 1 d . U . . .
C27 C 0.2274(4) 0.3803(3) 0.2902(2) 0.0326(10) Uani 1 1 d . U . . .
C28 C 0.1491(4) 0.3108(3) 0.2714(2) 0.0377(11) Uani 1 1 d . U . . .
C29 C 0.1092(4) 0.2787(4) 0.2096(3) 0.0458(13) Uani 1 1 d . U . . .
C30 C 0.1498(4) 0.3149(4) 0.1667(2) 0.0520(15) Uani 1 1 d . U . . .
C37 C 0.4010(4) 0.4579(4) 0.1397(2) 0.0498(14) Uani 1 1 d D U . . .
C38 C 0.4488(4) 0.5106(4) 0.1100(3) 0.0600(16) Uani 1 1 d . U . . .
C39 C 0.5539(5) 0.5320(4) 0.1088(3) 0.0596(16) Uani 1 1 d . U . . .
C40 C 0.6185(4) 0.4976(4) 0.1390(3) 0.0624(17) Uani 1 1 d . U . . .
C41 C 0.5760(4) 0.4424(4) 0.1678(3) 0.0551(15) Uani 1 1 d . U . . .
C42 C 0.4700(4) 0.4224(4) 0.1667(3) 0.0483(14) Uani 1 1 d . U . . .
B2 B 0.2731(5) 0.4392(5) 0.1371(3) 0.070(2) Uani 1 1 d D U . . .
F21 F 0.3402(2) 0.48423(18) 0.26854(13) 0.0416(7) Uani 1 1 d . U . . .
F22 F 0.2647(2) 0.41418(17) 0.35109(12) 0.0395(7) Uani 1 1 d . U . . .
F23 F 0.1112(2) 0.27613(19) 0.31342(14) 0.0475(7) Uani 1 1 d . U . . .
F24 F 0.0297(2) 0.2123(2) 0.19058(17) 0.0659(10) Uani 1 1 d . U . . .
F25 F 0.1033(3) 0.2796(3) 0.10684(15) 0.0825(13) Uani 1 1 d . U . . .
F31 F 0.3901(3) 0.5486(3) 0.08010(18) 0.0834(13) Uani 1 1 d . U . . .
F32 F 0.5935(3) 0.5858(3) 0.0793(2) 0.0847(13) Uani 1 1 d . U . . .
F33 F 0.7221(3) 0.5174(3) 0.1396(2) 0.0827(13) Uani 1 1 d . U . . .
F34 F 0.6380(3) 0.4064(3) 0.1955(2) 0.0766(11) Uani 1 1 d . U . . .
F35 F 0.4366(3) 0.3650(2) 0.19448(16) 0.0589(9) Uani 1 1 d . U . . .
C31 C 0.2275(7) 0.4139(7) 0.0645(4) 0.0373(19) Uani 0.601(4) 1 d D U P B 3
C32 C 0.2523(8) 0.3417(7) 0.0352(5) 0.037(2) Uani 0.601(4) 1 d . U P B 3
C33 C 0.2341(9) 0.3048(7) -0.0324(5) 0.053(2) Uani 0.601(4) 1 d . U P B 3
C34 C 0.1821(11) 0.3465(9) -0.0634(7) 0.050(3) Uani 0.601(4) 1 d . U P B 3
C35 C 0.1600(7) 0.4177(6) -0.0369(5) 0.046(2) Uani 0.601(4) 1 d . U P B 3
C36 C 0.1832(18) 0.4470(16) 0.0285(10) 0.041(4) Uani 0.601(4) 1 d . U P B 3
C43 C 0.2334(9) 0.5277(9) 0.1710(6) 0.049(3) Uani 0.601(4) 1 d D U P B 3
C44 C 0.1254(8) 0.5356(7) 0.1730(5) 0.0401(19) Uani 0.601(4) 1 d . U P B 3
C45 C 0.0829(10) 0.6006(9) 0.2019(7) 0.048(3) Uani 0.601(4) 1 d . U P B 3
C46 C 0.1481(8) 0.6763(7) 0.2371(5) 0.048(2) Uani 0.601(4) 1 d . U P B 3
C47 C 0.2518(13) 0.6836(11) 0.2399(8) 0.049(3) Uani 0.601(4) 1 d . U P B 3
C48 C 0.2923(8) 0.6128(7) 0.2072(5) 0.0348(19) Uani 0.601(4) 1 d . U P B 3
F36 F 0.0580(5) 0.4651(5) 0.1410(3) 0.0479(15) Uani 0.601(4) 1 d . U P B 3
F37 F -0.0200(5) 0.5940(5) 0.2014(3) 0.0667(18) Uani 0.601(4) 1 d . U P B 3
F38 F 0.1093(6) 0.7416(5) 0.2660(3) 0.0716(19) Uani 0.601(4) 1 d . U P B 3
F39 F 0.3187(6) 0.7543(4) 0.2705(3) 0.0580(18) Uani 0.601(4) 1 d . U P B 3
F40 F 0.3961(12) 0.6271(8) 0.2151(7) 0.048(3) Uani 0.601(4) 1 d . U P B 3
F26 F 0.3004(5) 0.2959(5) 0.0625(3) 0.0524(18) Uani 0.601(4) 1 d . U P B 3
F27 F 0.2587(6) 0.2340(4) -0.0618(4) 0.0675(19) Uani 0.601(4) 1 d . U P B 3
F28 F 0.1653(5) 0.3137(5) -0.1288(3) 0.0685(19) Uani 0.601(4) 1 d . U P B 3
F29 F 0.1124(4) 0.4575(4) -0.0697(2) 0.0611(16) Uani 0.601(4) 1 d . U P B 3
F30 F 0.1558(4) 0.5233(4) 0.0514(2) 0.0500(14) Uani 0.601(4) 1 d . U P B 3
C31' C 0.2460(14) 0.3689(12) 0.0626(6) 0.045(3) Uani 0.399(4) 1 d D U P B 4
C32' C 0.2718(16) 0.2852(15) 0.0376(9) 0.047(4) Uani 0.399(4) 1 d . U P B 4
C33' C 0.2550(13) 0.2284(10) -0.0209(8) 0.053(3) Uani 0.399(4) 1 d . U P B 4
C34' C 0.2054(17) 0.2512(13) -0.0675(9) 0.061(4) Uani 0.399(4) 1 d . U P B 4
C35' C 0.194(2) 0.3198(14) -0.0571(11) 0.052(4) Uani 0.399(4) 1 d . U P B 4
C36' C 0.2056(12) 0.3804(10) 0.0087(7) 0.050(3) Uani 0.399(4) 1 d . U P B 4
C43' C 0.2116(16) 0.5102(12) 0.1506(10) 0.060(4) Uani 0.399(4) 1 d D U P B 4
C44' C 0.1162(15) 0.4864(13) 0.1418(9) 0.048(3) Uani 0.399(4) 1 d . U P B 4
C45' C 0.0630(13) 0.5484(11) 0.1667(8) 0.049(3) Uani 0.399(4) 1 d . U P B 4
C46' C 0.1135(16) 0.6267(14) 0.2045(12) 0.045(3) Uani 0.399(4) 1 d . U P B 4
C47' C 0.2245(14) 0.6414(12) 0.2118(9) 0.052(3) Uani 0.399(4) 1 d . U P B 4
C48' C 0.2624(15) 0.5713(13) 0.1833(8) 0.034(3) Uani 0.399(4) 1 d . U P B 4
F36' F 0.0594(6) 0.4121(6) 0.1090(5) 0.052(2) Uani 0.399(4) 1 d . U P B 4
F37' F -0.0423(7) 0.5316(7) 0.1562(6) 0.073(3) Uani 0.399(4) 1 d . U P B 4
F38' F 0.0650(9) 0.6867(7) 0.2266(6) 0.077(3) Uani 0.399(4) 1 d . U P B 4
F39' F 0.2753(12) 0.7170(8) 0.2433(7) 0.061(4) Uani 0.399(4) 1 d . U P B 4
F40' F 0.378(2) 0.6035(13) 0.2011(11) 0.050(4) Uani 0.399(4) 1 d . U P B 4
F26' F 0.3191(6) 0.2574(5) 0.0822(3) 0.0386(18) Uani 0.399(4) 1 d . U P B 4
F27' F 0.2779(8) 0.1541(6) -0.0332(4) 0.078(3) Uani 0.399(4) 1 d . U P B 4
F28' F 0.1957(11) 0.1998(7) -0.1263(4) 0.104(4) Uani 0.399(4) 1 d . U P B 4
F29' F 0.1399(12) 0.3540(8) -0.0969(6) 0.091(4) Uani 0.399(4) 1 d . U P B 4
F30' F 0.1765(16) 0.4551(12) 0.0166(8) 0.046(4) Uani 0.399(4) 1 d . U P B 4
N5 N 0.2384(3) 0.2001(2) 0.64212(19) 0.0414(10) Uani 1 1 d D U . . .
Mg1 Mg 0.26355(12) 0.27254(9) 0.58504(7) 0.0320(4) Uani 1 1 d . U . . .
C49 C 0.3852(6) 0.3689(5) 0.5049(3) 0.0450(17) Uani 0.781(3) 1 d D U P C 5
H49A H 0.396777 0.417571 0.489792 0.054 Uiso 0.781(3) 1 calc R U P C 5
H49B H 0.397526 0.321079 0.471318 0.054 Uiso 0.781(3) 1 calc R U P C 5
C50 C 0.4600(8) 0.3852(7) 0.5628(5) 0.051(3) Uani 0.781(3) 1 d D U P C 5
H50A H 0.531805 0.392144 0.551916 0.061 Uiso 0.781(3) 1 calc R U P C 5
H50B H 0.453903 0.437383 0.594082 0.061 Uiso 0.781(3) 1 calc R U P C 5
C51 C 0.4787(6) 0.2480(5) 0.5515(4) 0.061(2) Uani 0.781(3) 1 d D U P C 5
H51A H 0.440209 0.228911 0.509263 0.092 Uiso 0.781(3) 1 calc R U P C 5
H51B H 0.468076 0.202947 0.570025 0.092 Uiso 0.781(3) 1 calc R U P C 5
H51C H 0.552883 0.265076 0.549163 0.092 Uiso 0.781(3) 1 calc R U P C 5
C52 C 0.5047(8) 0.3478(7) 0.6531(4) 0.061(3) Uani 0.781(3) 1 d D U P C 5
H52A H 0.498810 0.302526 0.671360 0.091 Uiso 0.781(3) 1 calc R U P C 5
H52B H 0.479923 0.393704 0.680789 0.091 Uiso 0.781(3) 1 calc R U P C 5
H52C H 0.577561 0.366444 0.648452 0.091 Uiso 0.781(3) 1 calc R U P C 5
C53 C 0.2070(5) 0.3022(4) 0.4596(3) 0.0364(14) Uani 0.781(3) 1 d D U P C 5
H53A H 0.227186 0.324641 0.425438 0.044 Uiso 0.781(3) 1 calc R U P C 5
H53B H 0.134221 0.306363 0.465014 0.044 Uiso 0.781(3) 1 calc R U P C 5
C54 C 0.2152(6) 0.2130(4) 0.4423(3) 0.0364(16) Uani 0.781(3) 1 d D U P C 5
H54A H 0.166797 0.180638 0.403887 0.044 Uiso 0.781(3) 1 calc R U P C 5
H54B H 0.286621 0.208395 0.433393 0.044 Uiso 0.781(3) 1 calc R U P C 5
C55 C 0.0755(5) 0.1604(4) 0.4917(3) 0.0408(16) Uani 0.781(3) 1 d D U P C 5
H55A H 0.050385 0.211926 0.501381 0.061 Uiso 0.781(3) 1 calc R U P C 5
H55B H 0.056481 0.132394 0.522650 0.061 Uiso 0.781(3) 1 calc R U P C 5
H55C H 0.043963 0.124456 0.449691 0.061 Uiso 0.781(3) 1 calc R U P C 5
C56 C 0.2254(6) 0.1006(4) 0.4824(4) 0.0442(17) Uani 0.781(3) 1 d D U P C 5
H56A H 0.190666 0.061820 0.441985 0.066 Uiso 0.781(3) 1 calc R U P C 5
H56B H 0.208241 0.076881 0.515970 0.066 Uiso 0.781(3) 1 calc R U P C 5
H56C H 0.300689 0.110948 0.481746 0.066 Uiso 0.781(3) 1 calc R U P C 5
C57 C 0.2438(6) 0.4302(4) 0.5474(4) 0.0466(18) Uani 0.781(3) 1 d D U P C 5
H57A H 0.304559 0.471923 0.573043 0.056 Uiso 0.781(3) 1 calc R U P C 5
H57B H 0.217788 0.450817 0.513966 0.056 Uiso 0.781(3) 1 calc R U P C 5
C58 C 0.1615(9) 0.4187(6) 0.5874(5) 0.052(2) Uani 0.781(3) 1 d D U P C 5
H58A H 0.096832 0.385212 0.560189 0.062 Uiso 0.781(3) 1 calc R U P C 5
H58B H 0.147728 0.473363 0.609873 0.062 Uiso 0.781(3) 1 calc R U P C 5
C59 C 0.0956(9) 0.3613(8) 0.6640(6) 0.071(3) Uani 0.781(3) 1 d D U P C 5
H59A H 0.112001 0.337821 0.697264 0.107 Uiso 0.781(3) 1 calc R U P C 5
H59B H 0.040084 0.321962 0.632868 0.107 Uiso 0.781(3) 1 calc R U P C 5
H59C H 0.072574 0.412866 0.682270 0.107 Uiso 0.781(3) 1 calc R U P C 5
C60 C 0.2714(7) 0.4348(5) 0.6831(3) 0.064(2) Uani 0.781(3) 1 d D U P C 5
H60A H 0.249879 0.486872 0.701972 0.096 Uiso 0.781(3) 1 calc R U P C 5
H60B H 0.334899 0.445662 0.664070 0.096 Uiso 0.781(3) 1 calc R U P C 5
H60C H 0.284549 0.409316 0.715587 0.096 Uiso 0.781(3) 1 calc R U P C 5
C61 C 0.3074(9) 0.0797(6) 0.7032(6) 0.079(3) Uani 0.781(3) 1 d D U P C 5
H61A H 0.249897 0.077297 0.728408 0.119 Uiso 0.781(3) 1 calc R U P C 5
H61B H 0.369894 0.073861 0.726112 0.119 Uiso 0.781(3) 1 calc R U P C 5
H61C H 0.289139 0.034734 0.663330 0.119 Uiso 0.781(3) 1 calc R U P C 5
C62 C 0.3732(10) 0.2627(8) 0.7651(5) 0.075(4) Uani 0.781(3) 1 d D U P C 5
H62A H 0.376950 0.317019 0.759432 0.112 Uiso 0.781(3) 1 calc R U P C 5
H62B H 0.441594 0.259467 0.782786 0.112 Uiso 0.781(3) 1 calc R U P C 5
H62C H 0.322359 0.254619 0.793643 0.112 Uiso 0.781(3) 1 calc R U P C 5
C63 C 0.0838(11) 0.1780(10) 0.7355(6) 0.053(3) Uani 0.781(3) 1 d D U P C 5
H63A H 0.124965 0.149808 0.756638 0.079 Uiso 0.781(3) 1 calc R U P C 5
H63B H 0.009757 0.157303 0.735969 0.079 Uiso 0.781(3) 1 calc R U P C 5
H63C H 0.102067 0.237574 0.757438 0.079 Uiso 0.781(3) 1 calc R U P C 5
C64 C 0.0653(7) 0.0438(4) 0.6139(4) 0.051(2) Uani 0.781(3) 1 d D U P C 5
H64A H 0.072194 0.029718 0.569074 0.076 Uiso 0.781(3) 1 calc R U P C 5
H64B H -0.007737 0.027590 0.619297 0.076 Uiso 0.781(3) 1 calc R U P C 5
H64C H 0.107119 0.014299 0.633406 0.076 Uiso 0.781(3) 1 calc R U P C 5
N1 N 0.2757(6) 0.3513(5) 0.5187(4) 0.038(2) Uani 0.781(3) 1 d D U P C 5
N2 N 0.4411(5) 0.3184(4) 0.5908(3) 0.0454(16) Uani 0.781(3) 1 d D U P C 5
N3 N 0.1899(4) 0.1790(3) 0.4938(2) 0.0319(11) Uani 0.781(3) 1 d D U P C 5
N4 N 0.1875(4) 0.3779(3) 0.6340(2) 0.0432(14) Uani 0.781(3) 1 d D U P C 5
Si1 Si 0.33281(15) 0.18058(13) 0.68751(11) 0.0517(6) Uani 0.781(3) 1 d D U P C
5
Si2 Si 0.11188(14) 0.15776(10) 0.65208(8) 0.0353(5) Uani 0.781(3) 1 d D U P C 5
C49' C 0.3913(16) 0.4330(15) 0.5502(11) 0.044(6) Uani 0.219(3) 1 d D U P C 6
H49C H 0.365118 0.474135 0.582713 0.053 Uiso 0.219(3) 1 calc R U P C 6
H49D H 0.421789 0.460566 0.520777 0.053 Uiso 0.219(3) 1 calc R U P C 6
C50' C 0.475(2) 0.402(2) 0.5812(15) 0.029(8) Uani 0.219(3) 1 d D U P C 6
H50C H 0.509020 0.367490 0.548676 0.035 Uiso 0.219(3) 1 calc R U P C 6
H50D H 0.528734 0.449585 0.607993 0.035 Uiso 0.219(3) 1 calc R U P C 6
C51' C 0.503(2) 0.3061(18) 0.6349(17) 0.041(8) Uani 0.219(3) 1 d D U P C 6
H51D H 0.501468 0.257354 0.598869 0.061 Uiso 0.219(3) 1 calc R U P C 6
H51E H 0.485366 0.288715 0.671290 0.061 Uiso 0.219(3) 1 calc R U P C 6
H51F H 0.573213 0.341313 0.644713 0.061 Uiso 0.219(3) 1 calc R U P C 6
C52' C 0.4138(19) 0.4132(14) 0.6796(9) 0.041(6) Uani 0.219(3) 1 d D U P C 6
H52D H 0.480392 0.451187 0.698328 0.062 Uiso 0.219(3) 1 calc R U P C 6
H52E H 0.389293 0.383410 0.708595 0.062 Uiso 0.219(3) 1 calc R U P C 6
H52F H 0.362711 0.444506 0.671456 0.062 Uiso 0.219(3) 1 calc R U P C 6
C53' C 0.333(2) 0.3202(14) 0.4541(11) 0.053(7) Uani 0.219(3) 1 d D U P C 6
H53C H 0.406897 0.316416 0.458652 0.063 Uiso 0.219(3) 1 calc R U P C 6
H53D H 0.322992 0.350254 0.423685 0.063 Uiso 0.219(3) 1 calc R U P C 6
C54' C 0.263(2) 0.2339(15) 0.4312(13) 0.057(8) Uani 0.219(3) 1 d D U P C 6
H54C H 0.189927 0.238585 0.425015 0.068 Uiso 0.219(3) 1 calc R U P C 6
H54D H 0.281273 0.202710 0.390319 0.068 Uiso 0.219(3) 1 calc R U P C 6
C55' C 0.195(2) 0.1113(15) 0.4522(17) 0.072(10) Uani 0.219(3) 1 d D U P C 6
H55D H 0.126610 0.124176 0.447312 0.108 Uiso 0.219(3) 1 calc R U P C 6
H55E H 0.196369 0.079631 0.481719 0.108 Uiso 0.219(3) 1 calc R U P C 6
H55F H 0.210312 0.078668 0.411381 0.108 Uiso 0.219(3) 1 calc R U P C 6
C56' C 0.3760(17) 0.1656(17) 0.4723(14) 0.068(8) Uani 0.219(3) 1 d D U P C 6
H56D H 0.382101 0.137409 0.428464 0.101 Uiso 0.219(3) 1 calc R U P C 6
H56E H 0.381963 0.128416 0.497268 0.101 Uiso 0.219(3) 1 calc R U P C 6
H56F H 0.431430 0.215241 0.488603 0.101 Uiso 0.219(3) 1 calc R U P C 6
C57' C 0.2116(18) 0.3983(16) 0.5057(12) 0.043(6) Uani 0.219(3) 1 d D U P C 6
H57C H 0.164612 0.360909 0.468038 0.051 Uiso 0.219(3) 1 calc R U P C 6
H57D H 0.233259 0.452804 0.499405 0.051 Uiso 0.219(3) 1 calc R U P C 6
C58' C 0.157(3) 0.4068(14) 0.5629(12) 0.055(12) Uani 0.219(3) 1 d D U P C 6
H58C H 0.202151 0.450638 0.598325 0.066 Uiso 0.219(3) 1 calc R U P C 6
H58D H 0.092703 0.425935 0.555514 0.066 Uiso 0.219(3) 1 calc R U P C 6
C59' C 0.0532(18) 0.2719(14) 0.5319(10) 0.052(7) Uani 0.219(3) 1 d D U P C 6
H59D H -0.007599 0.295167 0.526007 0.078 Uiso 0.219(3) 1 calc R U P C 6
H59E H 0.031914 0.221871 0.543769 0.078 Uiso 0.219(3) 1 calc R U P C 6
H59F H 0.084123 0.258192 0.492745 0.078 Uiso 0.219(3) 1 calc R U P C 6
C60' C 0.073(4) 0.356(2) 0.6361(16) 0.089(17) Uani 0.219(3) 1 d D U P C 6
H60D H 0.119759 0.396377 0.671570 0.133 Uiso 0.219(3) 1 calc R U P C 6
H60E H 0.045386 0.306435 0.647745 0.133 Uiso 0.219(3) 1 calc R U P C 6
H60F H 0.015185 0.379562 0.625190 0.133 Uiso 0.219(3) 1 calc R U P C 6
C61' C 0.106(2) 0.194(4) 0.730(3) 0.070(19) Uani 0.219(3) 1 d D U P C 6
H61D H 0.049922 0.189943 0.698021 0.104 Uiso 0.219(3) 1 calc R U P C 6
H61E H 0.090862 0.224555 0.771496 0.104 Uiso 0.219(3) 1 calc R U P C 6
H61F H 0.112809 0.138521 0.729766 0.104 Uiso 0.219(3) 1 calc R U P C 6
C62' C 0.334(2) 0.254(4) 0.7761(18) 0.071(14) Uani 0.219(3) 1 d D U P C 6
H62D H 0.334459 0.198438 0.777274 0.107 Uiso 0.219(3) 1 calc R U P C 6
H62E H 0.319565 0.287958 0.816775 0.107 Uiso 0.219(3) 1 calc R U P C 6
H62F H 0.401554 0.279283 0.767187 0.107 Uiso 0.219(3) 1 calc R U P C 6
C63' C 0.296(2) 0.0556(17) 0.6665(12) 0.041(7) Uani 0.219(3) 1 d D U P C 6
H63D H 0.362611 0.091131 0.688727 0.061 Uiso 0.219(3) 1 calc R U P C 6
H63E H 0.307599 0.001312 0.642708 0.061 Uiso 0.219(3) 1 calc R U P C 6
H63F H 0.248201 0.049122 0.696940 0.061 Uiso 0.219(3) 1 calc R U P C 6
C64' C 0.1031(17) 0.043(2) 0.5833(16) 0.068(10) Uani 0.219(3) 1 d D U P C 6
H64D H 0.054981 0.073707 0.606605 0.103 Uiso 0.219(3) 1 calc R U P C 6
H64E H 0.095690 -0.010643 0.589963 0.103 Uiso 0.219(3) 1 calc R U P C 6
H64F H 0.087210 0.035626 0.538450 0.103 Uiso 0.219(3) 1 calc R U P C 6
N1' N 0.3036(16) 0.3638(15) 0.5156(11) 0.023(6) Uani 0.219(3) 1 d D U P C 6
N2' N 0.4273(15) 0.3532(12) 0.6198(8) 0.034(5) Uani 0.219(3) 1 d D U P C 6
N3' N 0.2748(13) 0.1889(10) 0.4764(9) 0.044(5) Uani 0.219(3) 1 d D U P C 6
N4' N 0.1300(13) 0.3328(10) 0.5818(7) 0.035(4) Uani 0.219(3) 1 d D U P C 6
Si1' Si 0.2308(5) 0.2497(5) 0.7135(3) 0.0465(19) Uani 0.219(3) 1 d D U P C 6
Si2' Si 0.2397(5) 0.1034(4) 0.6116(3) 0.0447(19) Uani 0.219(3) 1 d D U P C 6
Mg2 Mg 0.72322(15) 1.15833(11) 0.95574(8) 0.0444(4) Uani 1 1 d . U . . .
C65 C 0.8675(8) 1.3328(7) 1.0268(6) 0.080(3) Uani 0.665(3) 1 d D U P D 7
H65A H 0.866605 1.369035 0.999995 0.096 Uiso 0.665(3) 1 calc R U P D 7
H65B H 0.899124 1.367718 1.069619 0.096 Uiso 0.665(3) 1 calc R U P D 7
C66 C 0.9287(12) 1.2720(10) 1.0020(7) 0.091(4) Uani 0.665(3) 1 d D U P D 7
H66A H 0.929549 1.236407 1.029238 0.109 Uiso 0.665(3) 1 calc R U P D 7
H66B H 1.001192 1.300755 1.003092 0.109 Uiso 0.665(3) 1 calc R U P D 7
C67 C 0.8823(11) 1.2739(9) 0.8969(7) 0.094(4) Uani 0.665(3) 1 d . U P D 7
H67A H 0.952592 1.305215 0.898073 0.141 Uiso 0.665(3) 1 calc R U P D 7
H67B H 0.837990 1.312215 0.914694 0.141 Uiso 0.665(3) 1 calc R U P D 7
H67C H 0.853769 1.242332 0.853373 0.141 Uiso 0.665(3) 1 calc R U P D 7
C68 C 0.9509(9) 1.1579(8) 0.9169(7) 0.095(4) Uani 0.665(3) 1 d . U P D 7
H68A H 0.972130 1.155573 0.875560 0.142 Uiso 0.665(3) 1 calc R U P D 7
H68B H 0.912068 1.103330 0.915377 0.142 Uiso 0.665(3) 1 calc R U P D 7
H68C H 1.012661 1.174396 0.948110 0.142 Uiso 0.665(3) 1 calc R U P D 7
C69 C 0.6754(8) 1.3350(7) 1.0127(6) 0.072(3) Uani 0.665(3) 1 d D U P D 7
H69A H 0.669976 1.381261 1.049803 0.087 Uiso 0.665(3) 1 calc R U P D 7
H69B H 0.692695 1.357312 0.978031 0.087 Uiso 0.665(3) 1 calc R U P D 7
C70 C 0.5741(10) 1.2715(8) 0.9935(6) 0.077(3) Uani 0.665(3) 1 d D U P D 7
H70A H 0.557959 1.249796 1.028656 0.092 Uiso 0.665(3) 1 calc R U P D 7
H70B H 0.517354 1.298331 0.984565 0.092 Uiso 0.665(3) 1 calc R U P D 7
C71 C 0.5692(9) 1.2329(8) 0.8832(6) 0.077(3) Uani 0.665(3) 1 d . U P D 7
H71A H 0.558478 1.186386 0.844317 0.115 Uiso 0.665(3) 1 calc R U P D 7
H71B H 0.632713 1.272775 0.884062 0.115 Uiso 0.665(3) 1 calc R U P D 7
H71C H 0.509753 1.259707 0.884994 0.115 Uiso 0.665(3) 1 calc R U P D 7
C72 C 0.4870(7) 1.1391(7) 0.9332(6) 0.071(3) Uani 0.665(3) 1 d . U P D 7
H72A H 0.424585 1.160772 0.927846 0.107 Uiso 0.665(3) 1 calc R U P D 7
H72B H 0.488395 1.123539 0.971672 0.107 Uiso 0.665(3) 1 calc R U P D 7
H72C H 0.486068 1.090552 0.897126 0.107 Uiso 0.665(3) 1 calc R U P D 7
C73 C 0.7445(9) 1.2756(7) 1.0921(4) 0.075(3) Uani 0.665(3) 1 d D U P D 7
H73A H 0.669482 1.259167 1.094703 0.089 Uiso 0.665(3) 1 calc R U P D 7
H73B H 0.773655 1.326968 1.127007 0.089 Uiso 0.665(3) 1 calc R U P D 7
C74 C 0.8019(11) 1.2040(8) 1.0981(6) 0.086(3) Uani 0.665(3) 1 d D U P D 7
H74A H 0.877104 1.219400 1.095545 0.103 Uiso 0.665(3) 1 calc R U P D 7
H74B H 0.792752 1.192754 1.138299 0.103 Uiso 0.665(3) 1 calc R U P D 7
C75 C 0.6486(11) 1.0929(10) 1.0591(7) 0.082(4) Uani 0.665(3) 1 d . U P D 7
H75A H 0.616417 1.044929 1.022904 0.123 Uiso 0.665(3) 1 calc R U P D 7
H75B H 0.658844 1.074932 1.096112 0.123 Uiso 0.665(3) 1 calc R U P D 7
H75C H 0.603206 1.132665 1.067011 0.123 Uiso 0.665(3) 1 calc R U P D 7
C76 C 0.8239(10) 1.0748(9) 1.0476(6) 0.091(3) Uani 0.665(3) 1 d . U P D 7
H76A H 0.887097 1.090970 1.029868 0.136 Uiso 0.665(3) 1 calc R U P D 7
H76B H 0.788642 1.018322 1.023065 0.136 Uiso 0.665(3) 1 calc R U P D 7
H76C H 0.842198 1.077258 1.091194 0.136 Uiso 0.665(3) 1 calc R U P D 7
C77 C 0.6087(12) 0.8702(8) 0.8196(7) 0.114(5) Uani 0.665(3) 1 d D U P D 7
H77A H 0.584254 0.826210 0.837647 0.171 Uiso 0.665(3) 1 calc R U P D 7
H77B H 0.649160 0.849792 0.785576 0.171 Uiso 0.665(3) 1 calc R U P D 7
H77C H 0.548953 0.887246 0.803023 0.171 Uiso 0.665(3) 1 calc R U P D 7
C78 C 0.7145(11) 0.9598(7) 0.9477(6) 0.104(4) Uani 0.665(3) 1 d D U P D 7
H78A H 0.789945 0.967756 0.957148 0.156 Uiso 0.665(3) 1 calc R U P D 7
H78B H 0.680364 0.908653 0.954729 0.156 Uiso 0.665(3) 1 calc R U P D 7
H78C H 0.690893 1.006603 0.975109 0.156 Uiso 0.665(3) 1 calc R U P D 7
C79 C 0.7762(9) 1.0186(11) 0.7579(6) 0.117(5) Uani 0.665(3) 1 d D U P D 7
H79A H 0.847804 1.041240 0.778514 0.176 Uiso 0.665(3) 1 calc R U P D 7
H79B H 0.768589 1.031367 0.718389 0.176 Uiso 0.665(3) 1 calc R U P D 7
H79C H 0.760149 0.958625 0.749286 0.176 Uiso 0.665(3) 1 calc R U P D 7
C80 C 0.5583(8) 1.0290(9) 0.7635(6) 0.096(4) Uani 0.665(3) 1 d D U P D 7
H80A H 0.537662 0.968800 0.752559 0.143 Uiso 0.665(3) 1 calc R U P D 7
H80B H 0.560036 1.044617 0.725015 0.143 Uiso 0.665(3) 1 calc R U P D 7
H80C H 0.508186 1.054551 0.788419 0.143 Uiso 0.665(3) 1 calc R U P D 7
N6 N 0.7598(7) 1.2909(6) 1.0285(4) 0.077(2) Uani 0.665(3) 1 d D U P D 7
N7 N 0.8862(6) 1.2170(6) 0.9338(4) 0.060(2) Uani 0.665(3) 1 d . U P D 7
N8 N 0.5790(6) 1.2024(5) 0.9375(4) 0.0611(18) Uani 0.665(3) 1 d . U P D 7
N9 N 0.7523(8) 1.1331(7) 1.0457(4) 0.078(2) Uani 0.665(3) 1 d . U P D 7
N10 N 0.6969(6) 1.0515(5) 0.8814(4) 0.068(2) Uani 0.665(3) 1 d D U P D 7
Si3 Si 0.6862(9) 0.9539(6) 0.8772(5) 0.186(4) Uani 0.665(3) 1 d D U P D 7
Si4 Si 0.6873(2) 1.0645(2) 0.80909(14) 0.0720(9) Uani 0.665(3) 1 d D U P D 7
C65' C 0.7232(17) 1.3417(16) 0.9878(10) 0.088(4) Uani 0.335(3) 1 d D U P D 8
H65C H 0.752727 1.363312 1.032582 0.106 Uiso 0.335(3) 1 calc R U P D 8
H65D H 0.700757 1.387761 0.976827 0.106 Uiso 0.335(3) 1 calc R U P D 8
C66' C 0.8108(19) 1.3207(17) 0.9504(12) 0.096(4) Uani 0.335(3) 1 d D U P D 8
H66C H 0.788215 1.312257 0.905642 0.115 Uiso 0.335(3) 1 calc R U P D 8
H66D H 0.870772 1.368244 0.964711 0.115 Uiso 0.335(3) 1 calc R U P D 8
C67' C 0.885(2) 1.220(2) 0.8836(15) 0.101(7) Uani 0.335(3) 1 d D U P D 8
H67D H 0.828129 1.207193 0.849725 0.152 Uiso 0.335(3) 1 calc R U P D 8
H67E H 0.910822 1.169682 0.881644 0.152 Uiso 0.335(3) 1 calc R U P D 8
H67F H 0.941504 1.262191 0.879052 0.152 Uiso 0.335(3) 1 calc R U P D 8
C68' C 0.947(3) 1.284(2) 0.9850(16) 0.124(8) Uani 0.335(3) 1 d D U P D 8
H68D H 0.984488 1.322935 0.965703 0.186 Uiso 0.335(3) 1 calc R U P D 8
H68E H 0.980135 1.237194 0.979745 0.186 Uiso 0.335(3) 1 calc R U P D 8
H68F H 0.947800 1.312558 1.029826 0.186 Uiso 0.335(3) 1 calc R U P D 8
C69' C 0.5694(18) 1.2703(14) 0.9288(11) 0.088(4) Uani 0.335(3) 1 d D U P D 8
H69C H 0.614079 1.283943 0.898063 0.106 Uiso 0.335(3) 1 calc R U P D 8
H69D H 0.524447 1.311098 0.938411 0.106 Uiso 0.335(3) 1 calc R U P D 8
C70' C 0.4993(19) 1.1844(13) 0.8970(13) 0.097(5) Uani 0.335(3) 1 d D U P D 8
H70C H 0.453203 1.168172 0.926201 0.116 Uiso 0.335(3) 1 calc R U P D 8
H70D H 0.456102 1.183693 0.859090 0.116 Uiso 0.335(3) 1 calc R U P D 8
C71' C 0.6126(18) 1.1429(15) 0.8268(10) 0.086(5) Uani 0.335(3) 1 d D U P D 8
H71D H 0.586619 1.094364 0.789885 0.129 Uiso 0.335(3) 1 calc R U P D 8
H71E H 0.688643 1.154282 0.833244 0.129 Uiso 0.335(3) 1 calc R U P D 8
H71F H 0.589431 1.190704 0.820261 0.129 Uiso 0.335(3) 1 calc R U P D 8
C72' C 0.508(2) 1.0463(16) 0.8632(12) 0.105(6) Uani 0.335(3) 1 d D U P D 8
H72D H 0.458371 1.037951 0.826494 0.158 Uiso 0.335(3) 1 calc R U P D 8
H72E H 0.470900 1.040773 0.898420 0.158 Uiso 0.335(3) 1 calc R U P D 8
H72F H 0.551298 1.004829 0.853262 0.158 Uiso 0.335(3) 1 calc R U P D 8
C73' C 0.593(2) 1.2837(15) 1.0332(12) 0.094(4) Uani 0.335(3) 1 d D U P D 8
H73C H 0.528123 1.303362 1.029588 0.113 Uiso 0.335(3) 1 calc R U P D 8
H73D H 0.641515 1.327884 1.066891 0.113 Uiso 0.335(3) 1 calc R U P D 8
C74' C 0.5680(19) 1.2106(14) 1.0575(12) 0.097(4) Uani 0.335(3) 1 d D U P D 8
H74C H 0.503664 1.173041 1.032571 0.116 Uiso 0.335(3) 1 calc R U P D 8
H74D H 0.553952 1.230767 1.101532 0.116 Uiso 0.335(3) 1 calc R U P D 8
C75' C 0.595(2) 1.0752(19) 1.0483(17) 0.106(8) Uani 0.335(3) 1 d D U P D 8
H75D H 0.538150 1.060347 1.013844 0.159 Uiso 0.335(3) 1 calc R U P D 8
H75E H 0.638579 1.034300 1.039312 0.159 Uiso 0.335(3) 1 calc R U P D 8
H75F H 0.565666 1.076301 1.087435 0.159 Uiso 0.335(3) 1 calc R U P D 8
C76' C 0.731(2) 1.1888(17) 1.0937(16) 0.107(7) Uani 0.335(3) 1 d D U P D 8
H76D H 0.707861 1.201947 1.135260 0.160 Uiso 0.335(3) 1 calc R U P D 8
H76E H 0.768678 1.239536 1.087472 0.160 Uiso 0.335(3) 1 calc R U P D 8
H76F H 0.777453 1.149938 1.090585 0.160 Uiso 0.335(3) 1 calc R U P D 8
C77' C 0.6096(16) 0.8662(13) 0.8908(15) 0.105(7) Uani 0.335(3) 1 d D U P D 8
H77D H 0.643000 0.818806 0.883172 0.157 Uiso 0.335(3) 1 calc R U P D 8
H77E H 0.547911 0.852693 0.859839 0.157 Uiso 0.335(3) 1 calc R U P D 8
H77F H 0.588959 0.879416 0.933078 0.157 Uiso 0.335(3) 1 calc R U P D 8
C78' C 0.8293(11) 0.9242(11) 0.8806(10) 0.063(4) Uani 0.335(3) 1 d D U P D 8
H78D H 0.885523 0.971972 0.901994 0.095 Uiso 0.335(3) 1 calc R U P D 8
H78E H 0.840363 0.901626 0.836724 0.095 Uiso 0.335(3) 1 calc R U P D 8
H78F H 0.828788 0.881859 0.901406 0.095 Uiso 0.335(3) 1 calc R U P D 8
C79' C 0.9885(16) 1.042(2) 0.9525(16) 0.129(9) Uani 0.335(3) 1 d D U P D 8
H79D H 0.982575 0.991569 0.917279 0.194 Uiso 0.335(3) 1 calc R U P D 8
H79E H 1.042019 1.044211 0.985598 0.194 Uiso 0.335(3) 1 calc R U P D 8
H79F H 1.007571 1.090321 0.938051 0.194 Uiso 0.335(3) 1 calc R U P D 8
C80' C 0.830(2) 0.9444(14) 1.0048(15) 0.117(7) Uani 0.335(3) 1 d D U P D 8
H80D H 0.758280 0.934306 1.013440 0.175 Uiso 0.335(3) 1 calc R U P D 8
H80E H 0.877049 0.949130 1.042094 0.175 Uiso 0.335(3) 1 calc R U P D 8
H80F H 0.840254 0.898273 0.969629 0.175 Uiso 0.335(3) 1 calc R U P D 8
N6' N 0.632(2) 1.2804(16) 0.9825(11) 0.092(4) Uani 0.335(3) 1 d . U P D 8
N7' N 0.8406(19) 1.2558(16) 0.9552(11) 0.094(4) Uani 0.335(3) 1 d . U P D 8
N8' N 0.5737(14) 1.1276(12) 0.8801(9) 0.074(4) Uani 0.335(3) 1 d . U P D 8
N9' N 0.6588(18) 1.1587(14) 1.0549(10) 0.086(4) Uani 0.335(3) 1 d . U P D 8
N10' N 0.7569(11) 1.0489(8) 0.9356(6) 0.060(3) Uani 0.335(3) 1 d D U P D 8
Si3' Si 0.7024(5) 0.9571(3) 0.8837(3) 0.0466(15) Uani 0.335(3) 1 d D U P D 8
Si4' Si 0.8607(7) 1.0428(7) 0.9842(5) 0.133(3) Uani 0.335(3) 1 d D U P D 8
C81 C 0.4822(19) -0.0116(16) 0.4764(8) 0.125(8) Uani 0.5 1 d D U P . .
H81A H 0.415781 0.002741 0.488657 0.150 Uiso 0.5 1 calc R U P . .
H81B H 0.473670 -0.069350 0.476765 0.150 Uiso 0.5 1 calc R U P . .
C82 C 0.447(2) -0.0352(15) 0.4178(9) 0.139(8) Uani 0.5 1 d D U P . .
H82A H 0.503150 -0.062178 0.400689 0.167 Uiso 0.5 1 calc R U P . .
H82B H 0.462271 0.018922 0.410340 0.167 Uiso 0.5 1 calc R U P . .
C83 C 0.373(2) -0.0737(16) 0.3712(13) 0.193(13) Uani 0.5 1 d D U P . .
H83A H 0.328183 -0.118844 0.381141 0.290 Uiso 0.5 1 calc R U P . .
H83B H 0.403477 -0.096301 0.333059 0.290 Uiso 0.5 1 calc R U P . .
H83C H 0.331304 -0.034895 0.364515 0.290 Uiso 0.5 1 calc R U P . .
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'
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'
Si Si 0.0817 0.0704 '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
C6 C1 C2 112.9(4) .
C6 C1 B1 128.0(4) .
C2 C1 B1 118.8(4) .
F1 C2 C3 116.2(4) .
F1 C2 C1 118.8(4) .
C3 C2 C1 125.1(5) .
F2 C3 C4 120.1(4) .
F2 C3 C2 120.7(5) .
C4 C3 C2 119.2(5) .
F3 C4 C3 120.8(5) .
F3 C4 C5 120.5(5) .
C3 C4 C5 118.7(5) .
F4 C5 C4 119.6(5) .
F4 C5 C6 120.3(5) .
C4 C5 C6 120.0(5) .
F5 C6 C5 115.5(5) .
F5 C6 C1 120.4(5) .
C5 C6 C1 124.2(5) .
C12 C7 C8 113.6(4) .
C12 C7 B1 127.0(4) .
C8 C7 B1 118.9(4) .
F6 C8 C9 116.3(4) .
F6 C8 C7 119.4(4) .
C9 C8 C7 124.3(5) .
F7 C9 C8 120.9(5) .
F7 C9 C10 119.3(4) .
C8 C9 C10 119.8(5) .
F8 C10 C11 120.7(5) .
F8 C10 C9 120.7(5) .
C11 C10 C9 118.6(4) .
F9 C11 C10 120.1(4) .
F9 C11 C12 120.0(4) .
C10 C11 C12 119.9(4) .
F10 C12 C11 114.7(4) .
F10 C12 C7 121.4(4) .
C11 C12 C7 123.9(4) .
C24 C19 C20 113.1(5) .
C24 C19 B1 119.7(4) .
C20 C19 B1 127.0(5) .
F16 C20 C21 115.1(5) .
F16 C20 C19 121.0(5) .
C21 C20 C19 123.9(6) .
F17 C21 C22 120.6(6) .
F17 C21 C20 119.8(6) .
C22 C21 C20 119.6(6) .
F18 C22 C23 120.3(7) .
F18 C22 C21 120.7(6) .
C23 C22 C21 118.9(6) .
F19 C23 C22 120.0(6) .
F19 C23 C24 120.4(6) .
C22 C23 C24 119.6(6) .
F20 C24 C23 116.1(5) .
F20 C24 C19 119.0(4) .
C23 C24 C19 124.8(5) .
C13 B1 C1 115.7(5) .
C13 B1 C19 99.1(4) .
C1 B1 C19 114.8(4) .
C1 B1 C13' 106.1(13) .
C19 B1 C13' 111.5(12) .
C13 B1 C7 114.3(6) .
C1 B1 C7 101.6(3) .
C19 B1 C7 112.0(4) .
C13' B1 C7 110.3(15) .
C14 C13 C18 115.1(9) .
C14 C13 B1 125.9(11) .
C18 C13 B1 118.8(9) .
C13 C14 F11 126.0(16) .
C13 C14 C15 123.5(14) .
F11 C14 C15 110.4(17) .
F12 C15 C16 120.0(12) .
F12 C15 C14 121.0(13) .
C16 C15 C14 119.0(12) .
F13 C16 C15 121.7(8) .
F13 C16 C17 119.5(7) .
C15 C16 C17 118.8(8) .
F14 C17 C18 121.5(6) .
F14 C17 C16 119.2(6) .
C18 C17 C16 119.2(6) .
F15 C18 C13 120.0(7) .
F15 C18 C17 115.7(7) .
C13 C18 C17 124.3(7) .
C18' C13' C14' 106(2) .
C18' C13' B1 121(3) .
C14' C13' B1 131(3) .
C15' C14' F11' 126(5) .
C15' C14' C13' 126(4) .
F11' C14' C13' 108(4) .
C14' C15' C16' 123(4) .
C14' C15' F12' 119(4) .
C16' C15' F12' 118(3) .
C15' C16' F13' 122(2) .
C15' C16' C17' 118(2) .
F13' C16' C17' 120.0(19) .
C18' C17' C16' 122(2) .
C18' C17' F14' 118.7(18) .
C16' C17' F14' 119.3(17) .
C17' C18' F15' 120(2) .
C17' C18' C13' 125(2) .
F15' C18' C13' 115(2) .
C26 C25 C30 113.2(5) .
C26 C25 B2 119.0(5) .
C30 C25 B2 127.3(5) .
F21 C26 C27 116.1(4) .
F21 C26 C25 119.0(4) .
C27 C26 C25 124.9(5) .
F22 C27 C26 121.0(4) .
F22 C27 C28 119.6(4) .
C26 C27 C28 119.4(4) .
F23 C28 C29 120.5(5) .
F23 C28 C27 120.5(4) .
C29 C28 C27 119.0(5) .
F24 C29 C28 119.9(5) .
F24 C29 C30 120.3(5) .
C28 C29 C30 119.8(5) .
F25 C30 C29 115.2(5) .
F25 C30 C25 121.0(5) .
C29 C30 C25 123.7(5) .
C38 C37 C42 113.0(5) .
C38 C37 B2 119.6(5) .
C42 C37 B2 127.3(5) .
F31 C38 C37 119.4(5) .
F31 C38 C39 114.9(6) .
C37 C38 C39 125.7(6) .
F32 C39 C38 121.2(6) .
F32 C39 C40 120.4(5) .
C38 C39 C40 118.4(6) .
F33 C40 C41 120.5(7) .
F33 C40 C39 120.4(6) .
C41 C40 C39 119.1(5) .
F34 C41 C40 119.5(5) .
F34 C41 C42 120.4(6) .
C40 C41 C42 120.0(6) .
F35 C42 C41 114.9(6) .
F35 C42 C37 121.4(5) .
C41 C42 C37 123.7(6) .
C43' B2 C37 122.0(10) .
C31 B2 C37 106.1(5) .
C43' B2 C25 103.7(10) .
C31 B2 C25 122.1(6) .
C37 B2 C25 113.4(5) .
C31 B2 C43 104.2(7) .
C37 B2 C43 110.3(6) .
C25 B2 C43 99.8(6) .
C43' B2 C31' 116.1(11) .
C37 B2 C31' 96.7(7) .
C25 B2 C31' 104.0(7) .
C36 C31 C32 115.4(13) .
C36 C31 B2 137.0(14) .
C32 C31 B2 107.2(8) .
C31 C32 F26 126.5(9) .
C31 C32 C33 122.5(10) .
F26 C32 C33 111.0(10) .
F27 C33 C34 122.3(12) .
F27 C33 C32 123.1(12) .
C34 C33 C32 114.4(10) .
C35 C34 C33 124.5(13) .
C35 C34 F28 119.0(13) .
C33 C34 F28 116.0(12) .
C34 C35 F29 122.3(11) .
C34 C35 C36 114.9(14) .
F29 C35 C36 122.7(13) .
C31 C36 F30 122.4(18) .
C31 C36 C35 128(2) .
F30 C36 C35 109.6(16) .
C44 C43 C48 102.7(9) .
C44 C43 B2 125.4(10) .
C48 C43 B2 131.9(9) .
F36 C44 C45 116.1(10) .
F36 C44 C43 112.5(10) .
C45 C44 C43 131.4(11) .
F37 C45 C44 122.4(13) .
F37 C45 C46 117.8(12) .
C44 C45 C46 119.7(11) .
F38 C46 C47 119.7(13) .
F38 C46 C45 121.4(10) .
C47 C46 C45 118.9(13) .
F39 C47 C46 122.4(15) .
F39 C47 C48 118.6(13) .
C46 C47 C48 118.9(15) .
F40 C48 C47 113.1(12) .
F40 C48 C43 118.4(11) .
C47 C48 C43 128.3(11) .
C36' C31' C32' 101.7(14) .
C36' C31' B2 127.6(16) .
C32' C31' B2 130.3(15) .
C33' C32' F26' 112(2) .
C33' C32' C31' 133(2) .
F26' C32' C31' 115.3(14) .
F27' C33' C32' 123.8(18) .
F27' C33' C34' 120.9(17) .
C32' C33' C34' 115.2(19) .
C35' C34' F28' 122(2) .
C35' C34' C33' 120(2) .
F28' C34' C33' 117(2) .
C34' C35' F29' 128(2) .
C34' C35' C36' 123(2) .
F29' C35' C36' 105.8(18) .
C31' C36' F30' 115.3(16) .
C31' C36' C35' 125.6(18) .
F30' C36' C35' 119.0(15) .
C48' C43' C44' 129.7(19) .
C48' C43' B2 111.3(16) .
C44' C43' B2 114.5(17) .
C43' C44' F36' 128.8(18) .
C43' C44' C45' 114(2) .
F36' C44' C45' 117.2(18) .
F37' C45' C46' 118.0(17) .
F37' C45' C44' 119.6(18) .
C46' C45' C44' 122.4(18) .
F38' C46' C45' 123.2(19) .
F38' C46' C47' 121(2) .
C45' C46' C47' 115.2(19) .
F39' C47' C48' 129.8(18) .
F39' C47' C46' 117.0(18) .
C48' C47' C46' 113.2(19) .
C43' C48' C47' 124.3(19) .
C43' C48' F40' 133.8(17) .
C47' C48' F40' 101.5(19) .
Si1' N5 Si2' 128.7(5) .
Si1 N5 Si2 113.8(3) .
Si1' N5 Mg1 114.4(3) .
Si2' N5 Mg1 116.7(4) .
Si1 N5 Mg1 125.2(2) .
Si2 N5 Mg1 120.9(2) .
N5 Mg1 N4' 108.4(4) .
N5 Mg1 N3 98.85(18) .
N5 Mg1 N4 100.36(18) .
N3 Mg1 N4 121.5(2) .
N5 Mg1 N1 174.8(2) .
N3 Mg1 N1 78.5(2) .
N4 Mg1 N1 77.5(2) .
N5 Mg1 N2' 106.0(5) .
N4' Mg1 N2' 119.2(6) .
N5 Mg1 N2 108.1(2) .
N3 Mg1 N2 114.3(2) .
N4 Mg1 N2 111.0(2) .
N1 Mg1 N2 77.1(3) .
N5 Mg1 N3' 111.3(4) .
N4' Mg1 N3' 107.7(5) .
N2' Mg1 N3' 104.2(6) .
N5 Mg1 N1' 177.4(5) .
N4' Mg1 N1' 73.8(6) .
N2' Mg1 N1' 71.5(6) .
N3' Mg1 N1' 68.9(6) .
N2' Mg1 Si2' 112.2(5) .
N3' Mg1 Si2' 83.8(4) .
N1' Mg1 Si2' 152.3(5) .
Si1' Mg1 Si2' 55.8(2) .
N1 C49 C50 110.4(7) .
N1 C49 H49A 109.6 .
C50 C49 H49A 109.6 .
N1 C49 H49B 109.6 .
C50 C49 H49B 109.6 .
H49A C49 H49B 108.1 .
N2 C50 C49 112.4(7) .
N2 C50 H50A 109.1 .
C49 C50 H50A 109.1 .
N2 C50 H50B 109.1 .
C49 C50 H50B 109.1 .
H50A C50 H50B 107.9 .
N2 C51 H51A 109.5 .
N2 C51 H51B 109.5 .
H51A C51 H51B 109.5 .
N2 C51 H51C 109.5 .
H51A C51 H51C 109.5 .
H51B C51 H51C 109.5 .
N2 C52 H52A 109.5 .
N2 C52 H52B 109.5 .
H52A C52 H52B 109.5 .
N2 C52 H52C 109.5 .
H52A C52 H52C 109.5 .
H52B C52 H52C 109.5 .
N1 C53 C54 110.4(6) .
N1 C53 H53A 109.6 .
C54 C53 H53A 109.6 .
N1 C53 H53B 109.6 .
C54 C53 H53B 109.6 .
H53A C53 H53B 108.1 .
N3 C54 C53 110.6(5) .
N3 C54 H54A 109.5 .
C53 C54 H54A 109.5 .
N3 C54 H54B 109.5 .
C53 C54 H54B 109.5 .
H54A C54 H54B 108.1 .
N3 C55 H55A 109.5 .
N3 C55 H55B 109.5 .
H55A C55 H55B 109.5 .
N3 C55 H55C 109.5 .
H55A C55 H55C 109.5 .
H55B C55 H55C 109.5 .
N3 C56 H56A 109.5 .
N3 C56 H56B 109.5 .
H56A C56 H56B 109.5 .
N3 C56 H56C 109.5 .
H56A C56 H56C 109.5 .
H56B C56 H56C 109.5 .
C58 C57 N1 110.6(7) .
C58 C57 H57A 109.5 .
N1 C57 H57A 109.5 .
C58 C57 H57B 109.5 .
N1 C57 H57B 109.5 .
H57A C57 H57B 108.1 .
C57 C58 N4 113.9(8) .
C57 C58 H58A 108.8 .
N4 C58 H58A 108.8 .
C57 C58 H58B 108.8 .
N4 C58 H58B 108.8 .
H58A C58 H58B 107.7 .
N4 C59 H59A 109.5 .
N4 C59 H59B 109.5 .
H59A C59 H59B 109.5 .
N4 C59 H59C 109.5 .
H59A C59 H59C 109.5 .
H59B C59 H59C 109.5 .
N4 C60 H60A 109.5 .
N4 C60 H60B 109.5 .
H60A C60 H60B 109.5 .
N4 C60 H60C 109.5 .
H60A C60 H60C 109.5 .
H60B C60 H60C 109.5 .
Si1 C61 H61A 109.5 .
Si1 C61 H61B 109.5 .
H61A C61 H61B 109.5 .
Si1 C61 H61C 109.5 .
H61A C61 H61C 109.5 .
H61B C61 H61C 109.5 .
Si1 C62 H62A 109.5 .
Si1 C62 H62B 109.5 .
H62A C62 H62B 109.5 .
Si1 C62 H62C 109.5 .
H62A C62 H62C 109.5 .
H62B C62 H62C 109.5 .
Si2 C63 H63A 109.5 .
Si2 C63 H63B 109.5 .
H63A C63 H63B 109.5 .
Si2 C63 H63C 109.5 .
H63A C63 H63C 109.5 .
H63B C63 H63C 109.5 .
Si2 C64 H64A 109.5 .
Si2 C64 H64B 109.5 .
H64A C64 H64B 109.5 .
Si2 C64 H64C 109.5 .
H64A C64 H64C 109.5 .
H64B C64 H64C 109.5 .
C57 N1 C53 110.8(7) .
C57 N1 C49 109.4(7) .
C53 N1 C49 109.2(7) .
C57 N1 Mg1 110.6(6) .
C53 N1 Mg1 107.3(5) .
C49 N1 Mg1 109.6(6) .
C50 N2 C51 108.2(7) .
C50 N2 C52 107.6(7) .
C51 N2 C52 107.7(7) .
C50 N2 Mg1 108.8(5) .
C51 N2 Mg1 105.6(4) .
C52 N2 Mg1 118.6(6) .
C56 N3 C54 108.5(5) .
C56 N3 C55 107.9(5) .
C54 N3 C55 108.0(5) .
C56 N3 Mg1 112.8(4) .
C54 N3 Mg1 109.0(4) .
C55 N3 Mg1 110.5(4) .
C59 N4 C58 107.7(7) .
C59 N4 C60 108.0(8) .
C58 N4 C60 109.7(6) .
C59 N4 Mg1 120.0(6) .
C58 N4 Mg1 107.5(5) .
C60 N4 Mg1 103.6(4) .
N5 Si1 C61 117.6(4) .
N5 Si1 C62 112.9(4) .
C61 Si1 C62 107.1(5) .
N5 Si2 C64 116.3(3) .
N5 Si2 C63 115.8(5) .
C64 Si2 C63 105.4(5) .
N1' C49' C50' 111(2) .
N1' C49' H49C 109.4 .
C50' C49' H49C 109.4 .
N1' C49' H49D 109.4 .
C50' C49' H49D 109.4 .
H49C C49' H49D 108.0 .
N2' C50' C49' 109(2) .
N2' C50' H50C 109.8 .
C49' C50' H50C 109.8 .
N2' C50' H50D 109.8 .
C49' C50' H50D 109.8 .
H50C C50' H50D 108.2 .
N2' C51' H51D 109.5 .
N2' C51' H51E 109.5 .
H51D C51' H51E 109.5 .
N2' C51' H51F 109.5 .
H51D C51' H51F 109.5 .
H51E C51' H51F 109.5 .
N2' C52' H52D 109.5 .
N2' C52' H52E 109.5 .
H52D C52' H52E 109.5 .
N2' C52' H52F 109.5 .
H52D C52' H52F 109.5 .
H52E C52' H52F 109.5 .
N1' C53' C54' 107(2) .
N1' C53' H53C 110.3 .
C54' C53' H53C 110.3 .
N1' C53' H53D 110.3 .
C54' C53' H53D 110.3 .
H53C C53' H53D 108.5 .
N3' C54' C53' 111.3(18) .
N3' C54' H54C 109.4 .
C53' C54' H54C 109.4 .
N3' C54' H54D 109.4 .
C53' C54' H54D 109.4 .
H54C C54' H54D 108.0 .
N3' C55' H55D 109.5 .
N3' C55' H55E 109.5 .
H55D C55' H55E 109.5 .
N3' C55' H55F 109.5 .
H55D C55' H55F 109.5 .
H55E C55' H55F 109.5 .
N3' C56' H56D 109.5 .
N3' C56' H56E 109.5 .
H56D C56' H56E 109.5 .
N3' C56' H56F 109.5 .
H56D C56' H56F 109.5 .
H56E C56' H56F 109.5 .
N1' C57' C58' 107(2) .
N1' C57' H57C 110.2 .
C58' C57' H57C 110.2 .
N1' C57' H57D 110.2 .
C58' C57' H57D 110.2 .
H57C C57' H57D 108.5 .
N4' C58' C57' 117(2) .
N4' C58' H58C 108.2 .
C57' C58' H58C 108.2 .
N4' C58' H58D 108.2 .
C57' C58' H58D 108.2 .
H58C C58' H58D 107.3 .
N4' C59' H59D 109.5 .
N4' C59' H59E 109.5 .
H59D C59' H59E 109.5 .
N4' C59' H59F 109.5 .
H59D C59' H59F 109.5 .
H59E C59' H59F 109.5 .
N4' C60' H60D 109.5 .
N4' C60' H60E 109.5 .
H60D C60' H60E 109.5 .
N4' C60' H60F 109.5 .
H60D C60' H60F 109.5 .
H60E C60' H60F 109.5 .
Si1' C61' H61D 109.5 .
Si1' C61' H61E 109.5 .
H61D C61' H61E 109.5 .
Si1' C61' H61F 109.5 .
H61D C61' H61F 109.5 .
H61E C61' H61F 109.5 .
Si1' C62' H62D 109.5 .
Si1' C62' H62E 109.5 .
H62D C62' H62E 109.5 .
Si1' C62' H62F 109.5 .
H62D C62' H62F 109.5 .
H62E C62' H62F 109.5 .
Si2' C63' H63D 109.5 .
Si2' C63' H63E 109.5 .
H63D C63' H63E 109.5 .
Si2' C63' H63F 109.5 .
H63D C63' H63F 109.5 .
H63E C63' H63F 109.5 .
Si2' C64' H64D 109.5 .
Si2' C64' H64E 109.5 .
H64D C64' H64E 109.5 .
Si2' C64' H64F 109.5 .
H64D C64' H64F 109.5 .
H64E C64' H64F 109.5 .
C57' N1' C53' 110(2) .
C57' N1' C49' 109(2) .
C53' N1' C49' 109(2) .
C57' N1' Mg1 108.7(16) .
C53' N1' Mg1 113.7(16) .
C49' N1' Mg1 107.3(15) .
C50' N2' C52' 107(2) .
C50' N2' C51' 108(2) .
C52' N2' C51' 107(2) .
C50' N2' Mg1 118.8(16) .
C52' N2' Mg1 103.1(13) .
C51' N2' Mg1 112.6(17) .
C56' N3' C54' 107.3(15) .
C56' N3' C55' 106.5(15) .
C54' N3' C55' 105.5(14) .
C56' N3' Mg1 110.3(15) .
C54' N3' Mg1 112.2(15) .
C55' N3' Mg1 114.5(19) .
C58' N4' C59' 107.5(16) .
C58' N4' C60' 106.1(17) .
C59' N4' C60' 105.0(17) .
C58' N4' Mg1 111.6(18) .
C59' N4' Mg1 104.3(14) .
C60' N4' Mg1 122(3) .
N5 Si2' C63' 114.8(10) .
N5 Si2' C64' 109.1(12) .
C63' Si2' C64' 106.6(12) .
N10' Mg2 N7' 117.0(10) .
N10 Mg2 N9 111.0(4) .
N10 Mg2 N8 99.2(3) .
N9 Mg2 N8 118.2(3) .
N10 Mg2 N6 170.7(3) .
N9 Mg2 N6 77.8(4) .
N8 Mg2 N6 78.6(3) .
N10 Mg2 N7 96.6(3) .
N9 Mg2 N7 106.3(3) .
N8 Mg2 N7 122.6(3) .
N6 Mg2 N7 77.4(3) .
N10' Mg2 N8' 99.5(6) .
N7' Mg2 N8' 115.8(8) .
N10' Mg2 N9' 96.5(7) .
N7' Mg2 N9' 118.5(9) .
N8' Mg2 N9' 106.4(7) .
N10' Mg2 N6' 165.1(8) .
N7' Mg2 N6' 77.9(10) .
N8' Mg2 N6' 71.2(7) .
N9' Mg2 N6' 75.7(8) .
C66 C65 N6 110.0(10) .
C66 C65 H65A 109.7 .
N6 C65 H65A 109.7 .
C66 C65 H65B 109.7 .
N6 C65 H65B 109.7 .
H65A C65 H65B 108.2 .
C65 C66 N7 112.7(12) .
C65 C66 H66A 109.1 .
N7 C66 H66A 109.1 .
C65 C66 H66B 109.1 .
N7 C66 H66B 109.1 .
H66A C66 H66B 107.8 .
N7 C67 H67A 109.5 .
N7 C67 H67B 109.5 .
H67A C67 H67B 109.5 .
N7 C67 H67C 109.5 .
H67A C67 H67C 109.5 .
H67B C67 H67C 109.5 .
N7 C68 H68A 109.5 .
N7 C68 H68B 109.5 .
H68A C68 H68B 109.5 .
N7 C68 H68C 109.5 .
H68A C68 H68C 109.5 .
H68B C68 H68C 109.5 .
C70 C69 N6 107.1(9) .
C70 C69 H69A 110.3 .
N6 C69 H69A 110.3 .
C70 C69 H69B 110.3 .
N6 C69 H69B 110.3 .
H69A C69 H69B 108.5 .
N8 C70 C69 111.6(11) .
N8 C70 H70A 109.3 .
C69 C70 H70A 109.3 .
N8 C70 H70B 109.3 .
C69 C70 H70B 109.3 .
H70A C70 H70B 108.0 .
N8 C71 H71A 109.5 .
N8 C71 H71B 109.5 .
H71A C71 H71B 109.5 .
N8 C71 H71C 109.5 .
H71A C71 H71C 109.5 .
H71B C71 H71C 109.5 .
N8 C72 H72A 109.5 .
N8 C72 H72B 109.5 .
H72A C72 H72B 109.5 .
N8 C72 H72C 109.5 .
H72A C72 H72C 109.5 .
H72B C72 H72C 109.5 .
N6 C73 C74 109.4(8) .
N6 C73 H73A 109.8 .
C74 C73 H73A 109.8 .
N6 C73 H73B 109.8 .
C74 C73 H73B 109.8 .
H73A C73 H73B 108.2 .
N9 C74 C73 104.5(9) .
N9 C74 H74A 110.9 .
C73 C74 H74A 110.9 .
N9 C74 H74B 110.9 .
C73 C74 H74B 110.9 .
H74A C74 H74B 108.9 .
N9 C75 H75A 109.5 .
N9 C75 H75B 109.5 .
H75A C75 H75B 109.5 .
N9 C75 H75C 109.5 .
H75A C75 H75C 109.5 .
H75B C75 H75C 109.5 .
N9 C76 H76A 109.5 .
N9 C76 H76B 109.5 .
H76A C76 H76B 109.5 .
N9 C76 H76C 109.5 .
H76A C76 H76C 109.5 .
H76B C76 H76C 109.5 .
Si3 C77 H77A 109.5 .
Si3 C77 H77B 109.5 .
H77A C77 H77B 109.5 .
Si3 C77 H77C 109.5 .
H77A C77 H77C 109.5 .
H77B C77 H77C 109.5 .
Si3 C78 H78A 109.5 .
Si3 C78 H78B 109.5 .
H78A C78 H78B 109.5 .
Si3 C78 H78C 109.5 .
H78A C78 H78C 109.5 .
H78B C78 H78C 109.5 .
Si4 C79 H79A 109.5 .
Si4 C79 H79B 109.5 .
H79A C79 H79B 109.5 .
Si4 C79 H79C 109.5 .
H79A C79 H79C 109.5 .
H79B C79 H79C 109.5 .
Si4 C80 H80A 109.5 .
Si4 C80 H80B 109.5 .
H80A C80 H80B 109.5 .
Si4 C80 H80C 109.5 .
H80A C80 H80C 109.5 .
H80B C80 H80C 109.5 .
C65 N6 C69 114.6(9) .
C65 N6 C73 112.6(9) .
C69 N6 C73 108.6(8) .
C65 N6 Mg2 109.4(6) .
C69 N6 Mg2 106.9(6) .
C73 N6 Mg2 104.0(6) .
C68 N7 C67 118.2(12) .
C68 N7 C66 106.4(10) .
C67 N7 C66 106.0(11) .
C68 N7 Mg2 112.2(7) .
C67 N7 Mg2 114.5(8) .
C66 N7 Mg2 96.6(7) .
C72 N8 C71 108.8(9) .
C72 N8 C70 105.1(9) .
C71 N8 C70 106.6(9) .
C72 N8 Mg2 110.6(6) .
C71 N8 Mg2 117.8(7) .
C70 N8 Mg2 107.1(7) .
C74 N9 C75 110.9(11) .
C74 N9 C76 100.7(9) .
C75 N9 C76 105.9(10) .
C74 N9 Mg2 115.3(8) .
C75 N9 Mg2 106.7(7) .
C76 N9 Mg2 117.0(7) .
Si3 N10 Si4 112.3(6) .
Si3 N10 Mg2 132.5(6) .
Si4 N10 Mg2 115.2(4) .
C78 Si3 N10 102.4(7) .
C78 Si3 C77 126.1(10) .
N10 Si3 C77 125.7(9) .
C78 Si3 Si4 136.4(7) .
N10 Si3 Si4 34.5(4) .
C77 Si3 Si4 95.7(7) .
N10 Si4 C79 114.6(6) .
N10 Si4 C80 116.3(6) .
C79 Si4 C80 106.5(6) .
N10 Si4 Si3 33.2(3) .
C79 Si4 Si3 92.9(7) .
C80 Si4 Si3 102.4(6) .
N10 Si4 Mg2 35.7(3) .
C79 Si4 Mg2 129.9(4) .
C80 Si4 Mg2 122.6(4) .
Si3 Si4 Mg2 68.9(2) .
N6' C65' C66' 121(2) .
N6' C65' H65C 107.2 .
C66' C65' H65C 107.2 .
N6' C65' H65D 107.2 .
C66' C65' H65D 107.2 .
H65C C65' H65D 106.8 .
N7' C66' C65' 114(3) .
N7' C66' H66C 108.8 .
C65' C66' H66C 108.8 .
N7' C66' H66D 108.8 .
C65' C66' H66D 108.8 .
H66C C66' H66D 107.7 .
N7' C67' H67D 109.5 .
N7' C67' H67E 109.5 .
H67D C67' H67E 109.5 .
N7' C67' H67F 109.5 .
H67D C67' H67F 109.5 .
H67E C67' H67F 109.5 .
N7' C68' H68D 109.5 .
N7' C68' H68E 109.5 .
H68D C68' H68E 109.5 .
N7' C68' H68F 109.5 .
H68D C68' H68F 109.5 .
H68E C68' H68F 109.5 .
N6' C69' C70' 117(2) .
N6' C69' H69C 108.1 .
C70' C69' H69C 108.1 .
N6' C69' H69D 108.1 .
C70' C69' H69D 108.1 .
H69C C69' H69D 107.3 .
N8' C70' C69' 105(2) .
N8' C70' H70C 110.8 .
C69' C70' H70C 110.8 .
N8' C70' H70D 110.8 .
C69' C70' H70D 110.8 .
H70C C70' H70D 108.9 .
N8' C71' H71D 109.5 .
N8' C71' H71E 109.5 .
H71D C71' H71E 109.5 .
N8' C71' H71F 109.5 .
H71D C71' H71F 109.5 .
H71E C71' H71F 109.5 .
N8' C72' H72D 109.5 .
N8' C72' H72E 109.5 .
H72D C72' H72E 109.5 .
N8' C72' H72F 109.5 .
H72D C72' H72F 109.5 .
H72E C72' H72F 109.5 .
N6' C73' C74' 124(2) .
N6' C73' H73C 106.4 .
C74' C73' H73C 106.4 .
N6' C73' H73D 106.4 .
C74' C73' H73D 106.4 .
H73C C73' H73D 106.5 .
C73' C74' N9' 114(2) .
C73' C74' H74C 108.7 .
N9' C74' H74C 108.7 .
C73' C74' H74D 108.7 .
N9' C74' H74D 108.7 .
H74C C74' H74D 107.6 .
N9' C75' H75D 109.5 .
N9' C75' H75E 109.5 .
H75D C75' H75E 109.5 .
N9' C75' H75F 109.5 .
H75D C75' H75F 109.5 .
H75E C75' H75F 109.5 .
N9' C76' H76D 109.5 .
N9' C76' H76E 109.5 .
H76D C76' H76E 109.5 .
N9' C76' H76F 109.5 .
H76D C76' H76F 109.5 .
H76E C76' H76F 109.5 .
Si3' C77' H77D 109.5 .
Si3' C77' H77E 109.5 .
H77D C77' H77E 109.5 .
Si3' C77' H77F 109.5 .
H77D C77' H77F 109.5 .
H77E C77' H77F 109.5 .
Si3' C78' H78D 109.5 .
Si3' C78' H78E 109.5 .
H78D C78' H78E 109.5 .
Si3' C78' H78F 109.5 .
H78D C78' H78F 109.5 .
H78E C78' H78F 109.5 .
Si4' C79' H79D 109.5 .
Si4' C79' H79E 109.5 .
H79D C79' H79E 109.5 .
Si4' C79' H79F 109.5 .
H79D C79' H79F 109.5 .
H79E C79' H79F 109.5 .
Si4' C80' H80D 109.5 .
Si4' C80' H80E 109.5 .
H80D C80' H80E 109.5 .
Si4' C80' H80F 109.5 .
H80D C80' H80F 109.5 .
H80E C80' H80F 109.5 .
C73' N6' C69' 120(2) .
C73' N6' C65' 115(2) .
C69' N6' C65' 109(2) .
C73' N6' Mg2 108.4(19) .
C69' N6' Mg2 104.9(17) .
C65' N6' Mg2 95.2(16) .
C66' N7' C68' 105(2) .
C66' N7' C67' 102(2) .
C68' N7' C67' 89.4(19) .
C66' N7' Mg2 116(2) .
C68' N7' Mg2 133(2) .
C67' N7' Mg2 103.5(16) .
C71' N8' C72' 110.5(18) .
C71' N8' C70' 104.2(17) .
C72' N8' C70' 103.8(17) .
C71' N8' Mg2 105.1(13) .
C72' N8' Mg2 117.6(15) .
C70' N8' Mg2 115.0(14) .
C76' N9' C75' 121(3) .
C76' N9' C74' 116(2) .
C75' N9' C74' 100.0(17) .
C76' N9' Mg2 106(2) .
C75' N9' Mg2 109.5(18) .
C74' N9' Mg2 103.0(14) .
Si3' N10' Si4' 111.7(8) .
Si3' N10' Mg2 133.7(7) .
Si4' N10' Mg2 114.5(8) .
N10' Si3' C78' 91.8(8) .
N10' Si3' C77' 132.0(12) .
C78' Si3' C77' 104.0(8) .
N10' Si3' Si4' 34.9(5) .
C78' Si3' Si4' 62.5(7) .
C77' Si3' Si4' 118.0(10) .
N10' Si4' C79' 117.4(12) .
N10' Si4' C80' 109.9(12) .
C79' Si4' C80' 104.6(10) .
C81 C81 C82 174(5) 2_656
C81 C81 H81A 91.7 2_656
C82 C81 H81A 91.7 .
C81 C81 H81B 91.7 2_656
C82 C81 H81B 91.7 .
H81A C81 H81B 102.9 .
C81 C82 C83 151(3) .
C81 C82 H82A 98.7 .
C83 C82 H82A 98.7 .
C81 C82 H82B 98.7 .
C83 C82 H82B 98.7 .
H82A C82 H82B 103.9 .
C82 C83 H83A 109.5 .
C82 C83 H83B 109.5 .
H83A C83 H83B 109.5 .
C82 C83 H83C 109.5 .
H83A C83 H83C 109.5 .
H83B C83 H83C 109.5 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C6 1.379(7) .
C1 C2 1.390(6) .
C1 B1 1.650(6) .
C2 F1 1.358(5) .
C2 C3 1.371(7) .
C3 F2 1.347(6) .
C3 C4 1.369(8) .
C4 F3 1.343(6) .
C4 C5 1.373(8) .
C5 F4 1.352(6) .
C5 C6 1.374(8) .
C6 F5 1.356(6) .
C7 C12 1.384(7) .
C7 C8 1.388(7) .
C7 B1 1.667(6) .
C8 F6 1.353(5) .
C8 C9 1.365(7) .
C9 F7 1.344(6) .
C9 C10 1.378(7) .
C10 F8 1.345(5) .
C10 C11 1.370(7) .
C11 F9 1.346(6) .
C11 C12 1.378(7) .
C12 F10 1.353(5) .
C19 C24 1.384(7) .
C19 C20 1.391(7) .
C19 B1 1.660(7) .
C20 F16 1.350(7) .
C20 C21 1.383(9) .
C21 F17 1.340(7) .
C21 C22 1.373(10) .
C22 F18 1.340(7) .
C22 C23 1.365(9) .
C23 F19 1.356(7) .
C23 C24 1.373(8) .
C24 F20 1.357(6) .
B1 C13 1.650(8) .
B1 C13' 1.665(15) .
C13 C14 1.36(2) .
C13 C18 1.369(14) .
C14 F11 1.37(3) .
C14 C15 1.40(2) .
C15 F12 1.35(2) .
C15 C16 1.370(14) .
C16 F13 1.344(8) .
C16 C17 1.389(10) .
C17 F14 1.351(8) .
C17 C18 1.370(10) .
C18 F15 1.351(9) .
C13' C18' 1.48(4) .
C13' C14' 1.48(6) .
C14' C15' 1.31(6) .
C14' F11' 1.39(8) .
C15' C16' 1.31(4) .
C15' F12' 1.34(6) .
C16' F13' 1.36(2) .
C16' C17' 1.37(3) .
C17' C18' 1.32(3) .
C17' F14' 1.40(2) .
C18' F15' 1.36(3) .
C25 C26 1.385(7) .
C25 C30 1.388(8) .
C25 B2 1.655(7) .
C26 F21 1.356(6) .
C26 C27 1.367(7) .
C27 F22 1.340(5) .
C27 C28 1.372(7) .
C28 F23 1.339(6) .
C28 C29 1.364(7) .
C29 F24 1.348(6) .
C29 C30 1.384(8) .
C30 F25 1.353(6) .
C37 C38 1.373(8) .
C37 C42 1.389(8) .
C37 B2 1.654(7) .
C38 F31 1.365(8) .
C38 C39 1.374(8) .
C39 F32 1.348(7) .
C39 C40 1.375(10) .
C40 F33 1.346(6) .
C40 C41 1.367(9) .
C41 F34 1.341(7) .
C41 C42 1.375(8) .
C42 F35 1.347(7) .
B2 C43' 1.563(14) .
B2 C31 1.603(9) .
B2 C43 1.693(12) .
B2 C31' 1.725(13) .
C31 C36 1.29(2) .
C31 C32 1.343(15) .
C32 F26 1.353(14) .
C32 C33 1.449(15) .
C33 F27 1.322(13) .
C33 C34 1.377(18) .
C34 C35 1.299(17) .
C34 F28 1.398(17) .
C35 F29 1.347(11) .
C35 C36 1.40(2) .
C36 F30 1.39(3) .
C43 C44 1.460(15) .
C43 C48 1.495(16) .
C44 F36 1.342(13) .
C44 C45 1.363(19) .
C45 F37 1.342(13) .
C45 C46 1.405(19) .
C46 F38 1.337(13) .
C46 C47 1.347(19) .
C47 F39 1.335(19) .
C47 C48 1.45(2) .
C48 F40 1.34(2) .
C31' C36' 1.38(2) .
C31' C32' 1.50(3) .
C32' C33' 1.37(3) .
C32' F26' 1.39(2) .
C33' F27' 1.331(19) .
C33' C34' 1.39(3) .
C34' C35' 1.18(3) .
C34' F28' 1.34(2) .
C35' F29' 1.43(3) .
C35' C36' 1.52(3) .
C36' F30' 1.38(3) .
C43' C48' 1.15(3) .
C43' C44' 1.23(3) .
C44' F36' 1.33(2) .
C44' C45' 1.39(3) .
C45' F37' 1.357(19) .
C45' C46' 1.39(3) .
C46' F38' 1.31(2) .
C46' C47' 1.43(3) .
C47' F39' 1.32(2) .
C47' C48' 1.39(2) .
C48' F40' 1.51(3) .
N5 Si1' 1.602(8) .
N5 Si2' 1.617(7) .
N5 Si1 1.702(4) .
N5 Si2 1.754(5) .
N5 Mg1 2.047(4) .
Mg1 N4' 2.216(18) .
Mg1 N3 2.232(5) .
Mg1 N4 2.280(6) .
Mg1 N1 2.294(11) .
Mg1 N2' 2.29(2) .
Mg1 N2 2.316(6) .
Mg1 N3' 2.478(19) .
Mg1 N1' 2.55(3) .
C49 N1 1.496(9) .
C49 C50 1.505(11) .
C49 H49A 0.9900 .
C49 H49B 0.9900 .
C50 N2 1.464(9) .
C50 H50A 0.9900 .
C50 H50B 0.9900 .
C51 N2 1.471(9) .
C51 H51A 0.9800 .
C51 H51B 0.9800 .
C51 H51C 0.9800 .
C52 N2 1.482(9) .
C52 H52A 0.9800 .
C52 H52B 0.9800 .
C52 H52C 0.9800 .
C53 N1 1.484(9) .
C53 C54 1.505(9) .
C53 H53A 0.9900 .
C53 H53B 0.9900 .
C54 N3 1.477(8) .
C54 H54A 0.9900 .
C54 H54B 0.9900 .
C55 N3 1.480(7) .
C55 H55A 0.9800 .
C55 H55B 0.9800 .
C55 H55C 0.9800 .
C56 N3 1.476(8) .
C56 H56A 0.9800 .
C56 H56B 0.9800 .
C56 H56C 0.9800 .
C57 C58 1.478(11) .
C57 N1 1.482(9) .
C57 H57A 0.9900 .
C57 H57B 0.9900 .
C58 N4 1.482(9) .
C58 H58A 0.9900 .
C58 H58B 0.9900 .
C59 N4 1.452(10) .
C59 H59A 0.9800 .
C59 H59B 0.9800 .
C59 H59C 0.9800 .
C60 N4 1.488(9) .
C60 H60A 0.9800 .
C60 H60B 0.9800 .
C60 H60C 0.9800 .
C61 Si1 1.861(9) .
C61 H61A 0.9800 .
C61 H61B 0.9800 .
C61 H61C 0.9800 .
C62 Si1 1.868(11) .
C62 H62A 0.9800 .
C62 H62B 0.9800 .
C62 H62C 0.9800 .
C63 Si2 1.880(12) .
C63 H63A 0.9800 .
C63 H63B 0.9800 .
C63 H63C 0.9800 .
C64 Si2 1.873(7) .
C64 H64A 0.9800 .
C64 H64B 0.9800 .
C64 H64C 0.9800 .
C49' N1' 1.486(16) .
C49' C50' 1.528(19) .
C49' H49C 0.9900 .
C49' H49D 0.9900 .
C50' N2' 1.475(16) .
C50' H50C 0.9900 .
C50' H50D 0.9900 .
C51' N2' 1.485(15) .
C51' H51D 0.9800 .
C51' H51E 0.9800 .
C51' H51F 0.9800 .
C52' N2' 1.484(15) .
C52' H52D 0.9800 .
C52' H52E 0.9800 .
C52' H52F 0.9800 .
C53' N1' 1.484(16) .
C53' C54' 1.526(19) .
C53' H53C 0.9900 .
C53' H53D 0.9900 .
C54' N3' 1.468(16) .
C54' H54C 0.9900 .
C54' H54D 0.9900 .
C55' N3' 1.477(16) .
C55' H55D 0.9800 .
C55' H55E 0.9800 .
C55' H55F 0.9800 .
C56' N3' 1.466(15) .
C56' H56D 0.9800 .
C56' H56E 0.9800 .
C56' H56F 0.9800 .
C57' N1' 1.481(15) .
C57' C58' 1.497(19) .
C57' H57C 0.9900 .
C57' H57D 0.9900 .
C58' N4' 1.461(16) .
C58' H58C 0.9900 .
C58' H58D 0.9900 .
C59' N4' 1.470(15) .
C59' H59D 0.9800 .
C59' H59E 0.9800 .
C59' H59F 0.9800 .
C60' N4' 1.471(16) .
C60' H60D 0.9800 .
C60' H60E 0.9800 .
C60' H60F 0.9800 .
C61' Si1' 1.87(2) .
C61' H61D 0.9800 .
C61' H61E 0.9800 .
C61' H61F 0.9800 .
C62' Si1' 1.86(2) .
C62' H62D 0.9800 .
C62' H62E 0.9800 .
C62' H62F 0.9800 .
C63' Si2' 1.864(16) .
C63' H63D 0.9800 .
C63' H63E 0.9800 .
C63' H63F 0.9800 .
C64' Si2' 1.875(17) .
C64' H64D 0.9800 .
C64' H64E 0.9800 .
C64' H64F 0.9800 .
Mg2 N10' 1.957(12) .
Mg2 N10 2.052(8) .
Mg2 N7' 2.08(2) .
Mg2 N9 2.216(8) .
Mg2 N8 2.235(8) .
Mg2 N6 2.339(9) .
Mg2 N7 2.355(8) .
Mg2 N8' 2.389(18) .
Mg2 N9' 2.44(2) .
Mg2 N6' 2.56(3) .
C65 C66 1.451(15) .
C65 N6 1.483(11) .
C65 H65A 0.9900 .
C65 H65B 0.9900 .
C66 N7 1.551(18) .
C66 H66A 0.9900 .
C66 H66B 0.9900 .
C67 N7 1.470(16) .
C67 H67A 0.9800 .
C67 H67B 0.9800 .
C67 H67C 0.9800 .
C68 N7 1.436(15) .
C68 H68A 0.9800 .
C68 H68B 0.9800 .
C68 H68C 0.9800 .
C69 C70 1.514(14) .
C69 N6 1.538(11) .
C69 H69A 0.9900 .
C69 H69B 0.9900 .
C70 N8 1.476(15) .
C70 H70A 0.9900 .
C70 H70B 0.9900 .
C71 N8 1.474(13) .
C71 H71A 0.9800 .
C71 H71B 0.9800 .
C71 H71C 0.9800 .
C72 N8 1.457(13) .
C72 H72A 0.9800 .
C72 H72B 0.9800 .
C72 H72C 0.9800 .
C73 N6 1.551(11) .
C73 C74 1.601(13) .
C73 H73A 0.9900 .
C73 H73B 0.9900 .
C74 N9 1.442(16) .
C74 H74A 0.9900 .
C74 H74B 0.9900 .
C75 N9 1.511(17) .
C75 H75A 0.9800 .
C75 H75B 0.9800 .
C75 H75C 0.9800 .
C76 N9 1.512(14) .
C76 H76A 0.9800 .
C76 H76B 0.9800 .
C76 H76C 0.9800 .
C77 Si3 1.733(12) .
C77 H77A 0.9800 .
C77 H77B 0.9800 .
C77 H77C 0.9800 .
C78 Si3 1.574(12) .
C78 H78A 0.9800 .
C78 H78B 0.9800 .
C78 H78C 0.9800 .
C79 Si4 1.822(11) .
C79 H79A 0.9800 .
C79 H79B 0.9800 .
C79 H79C 0.9800 .
C80 Si4 1.829(10) .
C80 H80A 0.9800 .
C80 H80B 0.9800 .
C80 H80C 0.9800 .
N10 Si3 1.647(11) .
N10 Si4 1.705(9) .
Si3 Si4 2.783(11) .
C65' N6' 1.43(4) .
C65' C66' 1.511(18) .
C65' H65C 0.9900 .
C65' H65D 0.9900 .
C66' N7' 1.29(3) .
C66' H66C 0.9900 .
C66' H66D 0.9900 .
C67' N7' 1.73(4) .
C67' H67D 0.9800 .
C67' H67E 0.9800 .
C67' H67F 0.9800 .
C68' N7' 1.44(4) .
C68' H68D 0.9800 .
C68' H68E 0.9800 .
C68' H68F 0.9800 .
C69' N6' 1.37(3) .
C69' C70' 1.538(18) .
C69' H69C 0.9900 .
C69' H69D 0.9900 .
C70' N8' 1.51(3) .
C70' H70C 0.9900 .
C70' H70D 0.9900 .
C71' N8' 1.41(3) .
C71' H71D 0.9800 .
C71' H71E 0.9800 .
C71' H71F 0.9800 .
C72' N8' 1.44(3) .
C72' H72D 0.9800 .
C72' H72E 0.9800 .
C72' H72F 0.9800 .
C73' N6' 1.27(3) .
C73' C74' 1.514(18) .
C73' H73C 0.9900 .
C73' H73D 0.9900 .
C74' N9' 1.62(3) .
C74' H74C 0.9900 .
C74' H74D 0.9900 .
C75' N9' 1.50(4) .
C75' H75D 0.9800 .
C75' H75E 0.9800 .
C75' H75F 0.9800 .
C76' N9' 1.18(3) .
C76' H76D 0.9800 .
C76' H76E 0.9800 .
C76' H76F 0.9800 .
C77' Si3' 1.865(15) .
C77' H77D 0.9800 .
C77' H77E 0.9800 .
C77' H77F 0.9800 .
C78' Si3' 1.865(12) .
C78' H78D 0.9800 .
C78' H78E 0.9800 .
C78' H78F 0.9800 .
C79' Si4' 1.875(16) .
C79' H79D 0.9800 .
C79' H79E 0.9800 .
C79' H79F 0.9800 .
C80' Si4' 1.879(15) .
C80' H80D 0.9800 .
C80' H80E 0.9800 .
C80' H80F 0.9800 .
N10' Si3' 1.671(13) .
N10' Si4' 1.733(13) .
Si3' Si4' 2.818(12) .
C81 C81 1.06(3) 2_656
C81 C82 1.28(2) .
C81 H81A 0.9900 .
C81 H81B 0.9900 .
C82 C83 1.31(2) .
C82 H82A 0.9900 .
C82 H82B 0.9900 .
C83 H83A 0.9800 .
C83 H83B 0.9800 .
C83 H83C 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
C6 C1 C2 F1 -178.8(4)
B1 C1 C2 F1 -4.9(6)
C6 C1 C2 C3 1.0(7)
B1 C1 C2 C3 174.9(4)
F1 C2 C3 F2 -0.4(7)
C1 C2 C3 F2 179.8(4)
F1 C2 C3 C4 179.7(4)
C1 C2 C3 C4 -0.1(8)
F2 C3 C4 F3 -0.9(7)
C2 C3 C4 F3 179.0(4)
F2 C3 C4 C5 -179.9(5)
C2 C3 C4 C5 0.1(7)
F3 C4 C5 F4 -0.2(8)
C3 C4 C5 F4 178.7(5)
F3 C4 C5 C6 -179.9(5)
C3 C4 C5 C6 -1.0(8)
F4 C5 C6 F5 2.5(7)
C4 C5 C6 F5 -177.8(5)
F4 C5 C6 C1 -177.7(5)
C4 C5 C6 C1 2.0(8)
C2 C1 C6 F5 177.8(4)
B1 C1 C6 F5 4.6(8)
C2 C1 C6 C5 -1.9(7)
B1 C1 C6 C5 -175.1(5)
C12 C7 C8 F6 -178.3(4)
B1 C7 C8 F6 -5.8(6)
C12 C7 C8 C9 1.2(7)
B1 C7 C8 C9 173.7(4)
F6 C8 C9 F7 -0.4(7)
C7 C8 C9 F7 -179.9(4)
F6 C8 C9 C10 179.2(4)
C7 C8 C9 C10 -0.4(7)
F7 C9 C10 F8 -1.1(7)
C8 C9 C10 F8 179.4(4)
F7 C9 C10 C11 179.1(4)
C8 C9 C10 C11 -0.4(7)
F8 C10 C11 F9 -0.2(7)
C9 C10 C11 F9 179.6(4)
F8 C10 C11 C12 -179.5(4)
C9 C10 C11 C12 0.3(7)
F9 C11 C12 F10 2.1(6)
C10 C11 C12 F10 -178.6(4)
F9 C11 C12 C7 -178.7(4)
C10 C11 C12 C7 0.6(7)
C8 C7 C12 F10 177.9(4)
B1 C7 C12 F10 6.1(7)
C8 C7 C12 C11 -1.3(7)
B1 C7 C12 C11 -173.1(4)
C24 C19 C20 F16 -176.7(5)
B1 C19 C20 F16 -2.8(8)
C24 C19 C20 C21 3.2(8)
B1 C19 C20 C21 177.1(5)
F16 C20 C21 F17 -1.9(9)
C19 C20 C21 F17 178.2(6)
F16 C20 C21 C22 177.8(6)
C19 C20 C21 C22 -2.2(10)
F17 C21 C22 F18 0.9(10)
C20 C21 C22 F18 -178.8(6)
F17 C21 C22 C23 178.8(6)
C20 C21 C22 C23 -0.8(10)
F18 C22 C23 F19 1.4(9)
C21 C22 C23 F19 -176.6(6)
F18 C22 C23 C24 -179.7(6)
C21 C22 C23 C24 2.3(10)
F19 C23 C24 F20 -1.9(8)
C22 C23 C24 F20 179.2(5)
F19 C23 C24 C19 177.9(5)
C22 C23 C24 C19 -1.1(9)
C20 C19 C24 F20 178.1(4)
B1 C19 C24 F20 3.7(7)
C20 C19 C24 C23 -1.6(8)
B1 C19 C24 C23 -176.0(5)
C6 C1 B1 C13 -15.1(8)
C2 C1 B1 C13 172.1(6)
C6 C1 B1 C19 -129.6(5)
C2 C1 B1 C19 57.5(6)
C6 C1 B1 C13' -6.0(16)
C2 C1 B1 C13' -178.8(15)
C6 C1 B1 C7 109.3(5)
C2 C1 B1 C7 -63.5(5)
C24 C19 B1 C13 60.6(7)
C20 C19 B1 C13 -113.0(7)
C24 C19 B1 C1 -175.5(4)
C20 C19 B1 C1 10.9(7)
C24 C19 B1 C13' 63.7(17)
C20 C19 B1 C13' -109.8(17)
C24 C19 B1 C7 -60.4(5)
C20 C19 B1 C7 126.1(5)
C12 C7 B1 C13 -126.1(6)
C8 C7 B1 C13 62.5(6)
C12 C7 B1 C1 108.5(5)
C8 C7 B1 C1 -62.9(5)
C12 C7 B1 C19 -14.5(6)
C8 C7 B1 C19 174.2(4)
C12 C7 B1 C13' -139.3(12)
C8 C7 B1 C13' 49.3(13)
C1 B1 C13 C14 125.0(9)
C19 B1 C13 C14 -111.7(9)
C7 B1 C13 C14 7.5(11)
C1 B1 C13 C18 -59.8(8)
C19 B1 C13 C18 63.5(8)
C7 B1 C13 C18 -177.3(6)
C18 C13 C14 F11 179.3(14)
B1 C13 C14 F11 -5.4(19)
C18 C13 C14 C15 0.8(15)
B1 C13 C14 C15 176.2(8)
C13 C14 C15 F12 -177.4(9)
F11 C14 C15 F12 3.9(16)
C13 C14 C15 C16 0.0(15)
F11 C14 C15 C16 -178.7(11)
F12 C15 C16 F13 -4.0(12)
C14 C15 C16 F13 178.5(8)
F12 C15 C16 C17 176.9(8)
C14 C15 C16 C17 -0.6(12)
F13 C16 C17 F14 3.5(11)
C15 C16 C17 F14 -177.4(7)
F13 C16 C17 C18 -178.8(7)
C15 C16 C17 C18 0.3(12)
C14 C13 C18 F15 178.5(8)
B1 C13 C18 F15 2.7(11)
C14 C13 C18 C17 -1.1(13)
B1 C13 C18 C17 -176.8(7)
F14 C17 C18 F15 -1.3(11)
C16 C17 C18 F15 -179.0(7)
F14 C17 C18 C13 178.3(7)
C16 C17 C18 C13 0.6(13)
C1 B1 C13' C18' -59(2)
C19 B1 C13' C18' 67(2)
C7 B1 C13' C18' -168.4(19)
C1 B1 C13' C14' 139(3)
C19 B1 C13' C14' -95(3)
C7 B1 C13' C14' 30(3)
C18' C13' C14' C15' 3(5)
B1 C13' C14' C15' 167(3)
C18' C13' C14' F11' -170(3)
B1 C13' C14' F11' -6(5)
F11' C14' C15' C16' 172(4)
C13' C14' C15' C16' 0(6)
F11' C14' C15' F12' -11(6)
C13' C14' C15' F12' 177(3)
C14' C15' C16' F13' -179(3)
F12' C15' C16' F13' 4(4)
C14' C15' C16' C17' -3(5)
F12' C15' C16' C17' -179(3)
C15' C16' C17' C18' 1(4)
F13' C16' C17' C18' 178(2)
C15' C16' C17' F14' -177(2)
F13' C16' C17' F14' 0(3)
C16' C17' C18' F15' -178(2)
F14' C17' C18' F15' 1(3)
C16' C17' C18' C13' 2(4)
F14' C17' C18' C13' -179(2)
C14' C13' C18' C17' -4(4)
B1 C13' C18' C17' -170(2)
C14' C13' C18' F15' 176(2)
B1 C13' C18' F15' 11(3)
C30 C25 C26 F21 -178.4(5)
B2 C25 C26 F21 -6.1(8)
C30 C25 C26 C27 1.3(8)
B2 C25 C26 C27 173.5(5)
F21 C26 C27 F22 0.5(7)
C25 C26 C27 F22 -179.2(5)
F21 C26 C27 C28 178.8(4)
C25 C26 C27 C28 -0.9(8)
F22 C27 C28 F23 -1.1(7)
C26 C27 C28 F23 -179.5(4)
F22 C27 C28 C29 177.6(4)
C26 C27 C28 C29 -0.8(7)
F23 C28 C29 F24 1.2(8)
C27 C28 C29 F24 -177.6(5)
F23 C28 C29 C30 -179.5(5)
C27 C28 C29 C30 1.8(8)
F24 C29 C30 F25 0.9(8)
C28 C29 C30 F25 -178.5(5)
F24 C29 C30 C25 178.0(6)
C28 C29 C30 C25 -1.3(9)
C26 C25 C30 F25 176.8(5)
B2 C25 C30 F25 5.3(10)
C26 C25 C30 C29 -0.2(9)
B2 C25 C30 C29 -171.7(6)
C42 C37 C38 F31 178.5(5)
B2 C37 C38 F31 1.7(9)
C42 C37 C38 C39 -3.7(9)
B2 C37 C38 C39 179.5(6)
F31 C38 C39 F32 -0.8(9)
C37 C38 C39 F32 -178.7(6)
F31 C38 C39 C40 178.8(6)
C37 C38 C39 C40 0.9(10)
F32 C39 C40 F33 0.3(9)
C38 C39 C40 F33 -179.3(6)
F32 C39 C40 C41 -179.1(6)
C38 C39 C40 C41 1.3(9)
F33 C40 C41 F34 -1.7(9)
C39 C40 C41 F34 177.7(5)
F33 C40 C41 C42 -179.7(5)
C39 C40 C41 C42 -0.3(9)
F34 C41 C42 F35 -0.5(8)
C40 C41 C42 F35 177.5(5)
F34 C41 C42 C37 179.1(5)
C40 C41 C42 C37 -2.9(9)
C38 C37 C42 F35 -175.8(5)
B2 C37 C42 F35 0.7(9)
C38 C37 C42 C41 4.7(8)
B2 C37 C42 C41 -178.9(6)
C38 C37 B2 C43' -47.2(12)
C42 C37 B2 C43' 136.6(11)
C38 C37 B2 C31 51.0(8)
C42 C37 B2 C31 -125.3(7)
C38 C37 B2 C25 -172.3(6)
C42 C37 B2 C25 11.5(9)
C38 C37 B2 C43 -61.3(8)
C42 C37 B2 C43 122.5(7)
C38 C37 B2 C31' 79.3(9)
C42 C37 B2 C31' -96.9(9)
C26 C25 B2 C43' -76.4(10)
C30 C25 B2 C43' 94.6(10)
C26 C25 B2 C31 -173.0(6)
C30 C25 B2 C31 -2.0(11)
C26 C25 B2 C37 58.0(8)
C30 C25 B2 C37 -131.0(6)
C26 C25 B2 C43 -59.3(7)
C30 C25 B2 C43 111.8(7)
C26 C25 B2 C31' 161.8(9)
C30 C25 B2 C31' -27.2(11)
C37 B2 C31 C36 -106.6(18)
C25 B2 C31 C36 121.3(18)
C43 B2 C31 C36 9.8(19)
C37 B2 C31 C32 66.3(8)
C25 B2 C31 C32 -65.7(9)
C43 B2 C31 C32 -177.2(8)
C36 C31 C32 F26 179.0(14)
B2 C31 C32 F26 4.3(13)
C36 C31 C32 C33 2.2(18)
B2 C31 C32 C33 -172.5(8)
C31 C32 C33 F27 179.7(9)
F26 C32 C33 F27 2.4(14)
C31 C32 C33 C34 -4.9(15)
F26 C32 C33 C34 177.8(10)
F27 C33 C34 C35 -177.2(12)
C32 C33 C34 C35 7.4(19)
F27 C33 C34 F28 -5.9(18)
C32 C33 C34 F28 178.6(10)
C33 C34 C35 F29 177.4(11)
F28 C34 C35 F29 6.4(18)
C33 C34 C35 C36 -7(2)
F28 C34 C35 C36 -177.6(14)
C32 C31 C36 F30 -177.8(14)
B2 C31 C36 F30 -5(3)
C32 C31 C36 C35 -1(3)
B2 C31 C36 C35 171.2(13)
C34 C35 C36 C31 3(3)
F29 C35 C36 C31 179.4(16)
C34 C35 C36 F30 -179.8(13)
F29 C35 C36 F30 -4(2)
C31 B2 C43 C44 61.7(12)
C37 B2 C43 C44 175.2(9)
C25 B2 C43 C44 -65.2(11)
C31 B2 C43 C48 -121.3(11)
C37 B2 C43 C48 -7.7(14)
C25 B2 C43 C48 111.9(11)
C48 C43 C44 F36 178.3(7)
B2 C43 C44 F36 -4.0(13)
C48 C43 C44 C45 -2.9(16)
B2 C43 C44 C45 174.8(11)
F36 C44 C45 F37 3.2(17)
C43 C44 C45 F37 -175.5(11)
F36 C44 C45 C46 179.1(10)
C43 C44 C45 C46 0(2)
F37 C45 C46 F38 -4.2(17)
C44 C45 C46 F38 179.8(10)
F37 C45 C46 C47 177.9(11)
C44 C45 C46 C47 1.9(19)
F38 C46 C47 F39 -0.4(18)
C45 C46 C47 F39 177.5(12)
F38 C46 C47 C48 -178.7(9)
C45 C46 C47 C48 -0.8(18)
F39 C47 C48 F40 3.4(17)
C46 C47 C48 F40 -178.2(13)
F39 C47 C48 C43 179.0(10)
C46 C47 C48 C43 -2.6(19)
C44 C43 C48 F40 179.4(11)
B2 C43 C48 F40 1.9(18)
C44 C43 C48 C47 4.0(15)
B2 C43 C48 C47 -173.5(11)
C43' B2 C31' C36' 23(2)
C37 B2 C31' C36' -107.1(16)
C25 B2 C31' C36' 136.7(15)
C43' B2 C31' C32' -165.5(18)
C37 B2 C31' C32' 63.9(18)
C25 B2 C31' C32' -52.2(18)
C36' C31' C32' C33' -5(3)
B2 C31' C32' C33' -177.7(17)
C36' C31' C32' F26' 177.5(14)
B2 C31' C32' F26' 5(3)
F26' C32' C33' F27' 2(2)
C31' C32' C33' F27' -175.3(18)
F26' C32' C33' C34' 178.3(15)
C31' C32' C33' C34' 1(3)
F27' C33' C34' C35' -173(2)
C32' C33' C34' C35' 10(3)
F27' C33' C34' F28' -9(3)
C32' C33' C34' F28' 174.6(16)
F28' C34' C35' F29' 21(4)
C33' C34' C35' F29' -176(2)
F28' C34' C35' C36' -179.1(18)
C33' C34' C35' C36' -16(4)
C32' C31' C36' F30' -178.3(15)
B2 C31' C36' F30' -5(2)
C32' C31' C36' C35' 0(2)
B2 C31' C36' C35' 172.9(15)
C34' C35' C36' C31' 11(3)
F29' C35' C36' C31' 174.6(15)
C34' C35' C36' F30' -171(2)
F29' C35' C36' F30' -7(2)
C37 B2 C43' C48' -27(2)
C25 B2 C43' C48' 102.5(18)
C31' B2 C43' C48' -144.2(16)
C37 B2 C43' C44' 174.4(14)
C25 B2 C43' C44' -56.2(18)
C31' B2 C43' C44' 57(2)
C48' C43' C44' F36' -172(2)
B2 C43' C44' F36' -18(3)
C48' C43' C44' C45' 13(3)
B2 C43' C44' C45' 166.6(14)
C43' C44' C45' F37' 175.2(16)
F36' C44' C45' F37' -1(2)
C43' C44' C45' C46' -8(3)
F36' C44' C45' C46' 176.3(16)
F37' C45' C46' F38' -5(3)
C44' C45' C46' F38' 177.6(17)
F37' C45' C46' C47' -177.8(15)
C44' C45' C46' C47' 5(3)
F38' C46' C47' F39' 2(3)
C45' C46' C47' F39' 174.7(16)
F38' C46' C47' C48' -177.6(17)
C45' C46' C47' C48' -5(2)
C44' C43' C48' C47' -14(4)
B2 C43' C48' C47' -168.9(14)
C44' C43' C48' F40' 174(2)
B2 C43' C48' F40' 20(3)
F39' C47' C48' C43' -170(2)
C46' C47' C48' C43' 9(3)
F39' C47' C48' F40' 3(2)
C46' C47' C48' F40' -177.2(17)
N1 C49 C50 N2 54.2(11)
N1 C53 C54 N3 56.8(8)
N1 C57 C58 N4 51.8(10)
C58 C57 N1 C53 85.9(9)
C58 C57 N1 C49 -153.6(8)
C58 C57 N1 Mg1 -32.9(9)
C54 C53 N1 C57 -161.1(7)
C54 C53 N1 C49 78.4(8)
C54 C53 N1 Mg1 -40.2(7)
C50 C49 N1 C57 82.5(10)
C50 C49 N1 C53 -156.2(7)
C50 C49 N1 Mg1 -38.9(8)
C49 C50 N2 C51 74.6(10)
C49 C50 N2 C52 -169.4(9)
C49 C50 N2 Mg1 -39.8(10)
C53 C54 N3 C56 -165.1(6)
C53 C54 N3 C55 78.2(6)
C53 C54 N3 Mg1 -41.9(6)
C57 C58 N4 C59 -172.8(8)
C57 C58 N4 C60 69.8(9)
C57 C58 N4 Mg1 -42.2(9)
Si2 N5 Si1 C61 34.3(5)
Mg1 N5 Si1 C61 -150.1(5)
Si2 N5 Si1 C62 -91.1(5)
Mg1 N5 Si1 C62 84.5(5)
Si1 N5 Si2 C64 -76.1(4)
Mg1 N5 Si2 C64 108.1(4)
Si1 N5 Si2 C63 48.6(6)
Mg1 N5 Si2 C63 -127.3(6)
N1' C49' C50' N2' -53(3)
N1' C53' C54' N3' -58(3)
N1' C57' C58' N4' -54(4)
C58' C57' N1' C53' 155(2)
C58' C57' N1' C49' -86(3)
C58' C57' N1' Mg1 30(2)
C54' C53' N1' C57' -82(3)
C54' C53' N1' C49' 159(2)
C54' C53' N1' Mg1 39(2)
C50' C49' N1' C57' 161(2)
C50' C49' N1' C53' -80(3)
C50' C49' N1' Mg1 43(2)
C49' C50' N2' C52' -80(3)
C49' C50' N2' C51' 165(2)
C49' C50' N2' Mg1 36(3)
C53' C54' N3' C56' -73(3)
C53' C54' N3' C55' 174(2)
C53' C54' N3' Mg1 48(2)
C57' C58' N4' C59' -65(3)
C57' C58' N4' C60' -177(3)
C57' C58' N4' Mg1 49(3)
Si2' N5 Si1' C62' 60.1(18)
Mg1 N5 Si1' C62' -113.5(17)
Si2' N5 Si1' C61' -58(2)
Mg1 N5 Si1' C61' 128(2)
Si2' N5 Si1' Mg1 173.6(7)
Si1' N5 Si2' C63' -29.1(13)
Mg1 N5 Si2' C63' 144.3(12)
Si1' N5 Si2' C64' 90.4(12)
Mg1 N5 Si2' C64' -96.1(12)
Si1' N5 Si2' Mg1 -173.5(7)
N6 C65 C66 N7 61.5(14)
N6 C69 C70 N8 -61.1(13)
N6 C73 C74 N9 -60.1(12)
C66 C65 N6 C69 -143.2(11)
C66 C65 N6 C73 92.0(12)
C66 C65 N6 Mg2 -23.2(12)
C70 C69 N6 C65 159.7(10)
C70 C69 N6 C73 -73.3(11)
C70 C69 N6 Mg2 38.3(10)
C74 C73 N6 C65 -71.9(12)
C74 C73 N6 C69 160.1(9)
C74 C73 N6 Mg2 46.5(10)
C65 C66 N7 C68 -177.3(11)
C65 C66 N7 C67 56.0(14)
C65 C66 N7 Mg2 -61.8(11)
C69 C70 N8 C72 167.8(10)
C69 C70 N8 C71 -76.8(12)
C69 C70 N8 Mg2 50.1(11)
C73 C74 N9 C75 -78.7(12)
C73 C74 N9 C76 169.5(9)
C73 C74 N9 Mg2 42.7(12)
Si4 N10 Si3 C78 171.6(8)
Mg2 N10 Si3 C78 -6.3(13)
Si4 N10 Si3 C77 -34.1(14)
Mg2 N10 Si3 C77 147.9(10)
Mg2 N10 Si3 Si4 -177.9(11)
Si3 N10 Si4 C79 -53.4(9)
Mg2 N10 Si4 C79 124.9(7)
Si3 N10 Si4 C80 71.5(8)
Mg2 N10 Si4 C80 -110.1(6)
Mg2 N10 Si4 Si3 178.3(9)
Si3 N10 Si4 Mg2 -178.3(9)
N6' C65' C66' N7' -50(3)
N6' C69' C70' N8' -62(3)
N6' C73' C74' N9' 46(4)
C74' C73' N6' C69' 98(3)
C74' C73' N6' C65' -128(3)
C74' C73' N6' Mg2 -22(3)
C70' C69' N6' C73' -73(4)
C70' C69' N6' C65' 151(2)
C70' C69' N6' Mg2 50(3)
C66' C65' N6' C73' 142(3)
C66' C65' N6' C69' -79(3)
C66' C65' N6' Mg2 29(2)
C65' C66' N7' C68' -116(3)
C65' C66' N7' C67' 151(2)
C65' C66' N7' Mg2 40(3)
C69' C70' N8' C71' -76(2)
C69' C70' N8' C72' 168(2)
C69' C70' N8' Mg2 38(2)
C73' C74' N9' C76' 76(3)
C73' C74' N9' C75' -152(2)
C73' C74' N9' Mg2 -39(2)
Si4' N10' Si3' C78' -31.5(11)
Mg2 N10' Si3' C78' 152.7(12)
Si4' N10' Si3' C77' 79.2(16)
Mg2 N10' Si3' C77' -96.6(16)
Mg2 N10' Si3' Si4' -175.8(19)
Si3' N10' Si4' C79' 80.6(16)
Mg2 N10' Si4' C79' -102.7(15)
Si3' N10' Si4' C80' -38.7(14)
Mg2 N10' Si4' C80' 138.0(12)
Mg2 N10' Si4' Si3' 176.7(15)
Si3' N10' Si4' Mg2 -176.7(15)
