#------------------------------------------------------------------------------
#$Date: 2018-07-17 04:38:33 +0300 (Tue, 17 Jul 2018) $
#$Revision: 209074 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/11/7231163.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_7231163
loop_
_publ_author_name
'Yang, Zhu-Xi'
'Qian, Yin'
'Yu, Jing-Wei'
'Zhai, Lu'
'Zhang, Wen-Wei'
'Ren, Xiao-Ming'
_publ_section_title
;
 Dimensionality of luminescent coordination polymers of magnesium ions and
 1,1′-ethynebenzene-3,3′,5,5′-tetracarboxylic acid
 modulated by structural inducing agents
;
_journal_issue                   45
_journal_name_full               'RSC Advances'
_journal_page_first              25489
_journal_paper_doi               10.1039/C8RA04875D
_journal_volume                  8
_journal_year                    2018
_chemical_formula_moiety         'C24 H26 Mg N2 O12'
_chemical_formula_sum            'C24 H26 Mg N2 O12'
_chemical_formula_weight         558.78
_chemical_name_systematic
;
 ? 
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_audit_creation_date             2018-04-25
_audit_creation_method
;
Olex2 1.2-beta
(compiled 2017.03.28 svn.r3405 for OlexSys, GUI svn.r5337)
;
_audit_update_record
;
2018-04-25 deposited with the CCDC.
2018-07-03 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 100.254(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.0079(7)
_cell_length_b                   16.8300(15)
_cell_length_c                   19.0430(16)
_cell_measurement_reflns_used    9934
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      25.21
_cell_measurement_theta_min      2.85
_cell_volume                     2525.5(4)
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      295.38
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0442
_diffrn_reflns_av_unetI/netI     0.0352
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            32196
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.388
_diffrn_reflns_theta_min         2.854
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.140
_exptl_absorpt_correction_T_max  0.9779
_exptl_absorpt_correction_T_min  0.9711
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.470
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1168
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.16
_refine_diff_density_max         1.207
_refine_diff_density_min         -0.544
_refine_diff_density_rms         0.074
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.083
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     357
_refine_ls_number_reflns         4634
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.083
_refine_ls_R_factor_all          0.0953
_refine_ls_R_factor_gt           0.0694
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0784P)²+5.6262P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1722
_refine_ls_wR_factor_ref         0.1886
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3518
_reflns_number_total             4634
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c8ra04875d2.cif
_cod_data_source_block           mgapa
_cod_database_code               7231163
_shelx_shelxl_version_number     2016/6
_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_max   0.978
_shelx_estimated_absorpt_t_min   0.971
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, {H12A,H12B} of O12, H7 of O7
 At 1.5 times of:
  All C(H,H,H) groups, {H11A,H11B} of O11, H6 of O6
2. Rigid bond restraints
 O9, C22
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
3.a Riding coordinates:
 O7(H7), O11(H11A,H11B), O12(H12A,H12B)
3.b Aromatic/amide H refined with riding coordinates:
 C3(H3), C6(H6A), C7(H7A), C0AA(H0AA), C13(H13), C16(H16), C19(H19), C22(H22)
3.c Idealised Me refined as rotating group:
 C20(H20A,H20B,H20C), C21(H21A,H21B,H21C), C23(H23A,H23B,H23C), C24(H24A,H24B,
 H24C)
3.d Idealised tetrahedral OH refined as rotating group:
 O6(H6)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_disorder_assembly
_atom_site_disorder_group
Mg1 Mg 0.31531(15) 0.07287(6) 0.39230(6) 0.0247(3) Uani 1 1 d . . . .
O1 O 0.4075(3) 0.17718(13) 0.35668(13) 0.0316(6) Uani 1 1 d . . . .
O2 O 0.2716(4) 0.21999(14) 0.25155(14) 0.0440(8) Uani 1 1 d . . . .
O3 O 0.2396(3) 0.51240(14) 0.20375(13) 0.0343(6) Uani 1 1 d . . . .
O4 O 0.3537(4) 0.59286(14) 0.29218(14) 0.0413(7) Uani 1 1 d . . . .
O5 O 0.9802(4) 0.72067(15) 0.61647(17) 0.0509(8) Uani 1 1 d . . . .
O6 O 1.1707(4) 0.70015(15) 0.71596(15) 0.0450(8) Uani 1 1 d . . . .
H6 H 1.177285 0.748775 0.715841 0.067 Uiso 1 1 calc GR . . .
O7 O 1.2760(3) 0.43500(16) 0.81582(14) 0.0402(7) Uani 1 1 d . . . .
H7 H 1.383570 0.435307 0.826887 0.048 Uiso 1 1 d R . . .
O8 O 1.2275(4) 0.33313(15) 0.74026(15) 0.0468(8) Uani 1 1 d . . . .
O10 O 0.3684(3) 0.12140(15) 0.49503(13) 0.0353(6) Uani 1 1 d . . . .
O11 O 0.5560(3) 0.02502(16) 0.40710(14) 0.0370(7) Uani 1 1 d . . . .
H11A H 0.634680 0.055680 0.387116 0.056 Uiso 1 1 d R . . .
H11B H 0.587560 0.007620 0.445666 0.056 Uiso 1 1 d R . . .
O12 O 0.0760(3) 0.12112(15) 0.37629(16) 0.0408(7) Uani 1 1 d . . . .
H12A H 0.078116 0.154365 0.342847 0.049 Uiso 1 1 d R . . .
H12B H 0.053226 0.149635 0.410197 0.049 Uiso 1 1 d R . . .
N1 N 0.4113(4) 0.22783(19) 0.56850(17) 0.0366(8) Uani 1 1 d . . . .
C1 C 0.3637(5) 0.23011(19) 0.31220(18) 0.0268(8) Uani 1 1 d . . . .
C2 C 0.4196(4) 0.31440(19) 0.33085(18) 0.0238(8) Uani 1 1 d . . . .
C3 C 0.3530(4) 0.37780(19) 0.28825(18) 0.0241(8) Uani 1 1 d . . . .
H3 H 0.277906 0.368437 0.245884 0.029 Uiso 1 1 calc R . . .
C4 C 0.3987(4) 0.45579(19) 0.30890(17) 0.0226(7) Uani 1 1 d . . . .
C5 C 0.3237(5) 0.52507(19) 0.26402(18) 0.0260(8) Uani 1 1 d . . . .
C6 C 0.5337(4) 0.3288(2) 0.39402(18) 0.0261(8) Uani 1 1 d . . . .
H6A H 0.579347 0.286337 0.422341 0.031 Uiso 1 1 calc R . . .
C7 C 0.5100(4) 0.46928(19) 0.37191(18) 0.0248(8) Uani 1 1 d . . . .
H7A H 0.538991 0.521123 0.385981 0.030 Uiso 1 1 calc R . . .
C8 C 0.5796(4) 0.4058(2) 0.41488(18) 0.0241(8) Uani 1 1 d . . . .
C9 C 0.6980(5) 0.42308(19) 0.47931(19) 0.0269(8) Uani 1 1 d . . . .
C10 C 0.7960(5) 0.4436(2) 0.53134(19) 0.0282(8) Uani 1 1 d . . . .
C11 C 0.9119(4) 0.4748(2) 0.59116(18) 0.0259(8) Uani 1 1 d . . . .
C0AA C 0.9319(4) 0.5565(2) 0.59827(19) 0.0272(8) Uani 1 1 d . . . .
H0AA H 0.871760 0.589794 0.563800 0.033 Uiso 1 1 calc R . . .
C13 C 1.0039(5) 0.4253(2) 0.64307(19) 0.0275(8) Uani 1 1 d . . . .
H13 H 0.993040 0.370446 0.638426 0.033 Uiso 1 1 calc R . . .
C14 C 1.2127(5) 0.4042(2) 0.7574(2) 0.0301(8) Uani 1 1 d . . . .
C15 C 1.1121(4) 0.4575(2) 0.70187(18) 0.0259(8) Uani 1 1 d . . . .
C16 C 1.1284(4) 0.5392(2) 0.70820(18) 0.0255(8) Uani 1 1 d . . . .
H16 H 1.198813 0.560873 0.747643 0.031 Uiso 1 1 calc R . . .
C17 C 1.0404(4) 0.5892(2) 0.65609(19) 0.0250(8) Uani 1 1 d . . . .
C18 C 1.0602(5) 0.6767(2) 0.6609(2) 0.0299(8) Uani 1 1 d . . . .
C19 C 0.3524(5) 0.1921(2) 0.5073(2) 0.0328(9) Uani 1 1 d . . . .
H19 H 0.294196 0.223227 0.470540 0.039 Uiso 1 1 calc R . . .
C20 C 0.3905(7) 0.3128(3) 0.5779(3) 0.0586(13) Uani 1 1 d . . . .
H20A H 0.316532 0.333951 0.536931 0.088 Uiso 1 1 calc GR . . .
H20B H 0.499074 0.338408 0.583090 0.088 Uiso 1 1 calc GR . . .
H20C H 0.342119 0.321980 0.619797 0.088 Uiso 1 1 calc GR . . .
C21 C 0.5033(7) 0.1832(3) 0.6284(2) 0.0571(13) Uani 1 1 d . . . .
H21A H 0.514828 0.129012 0.614313 0.086 Uiso 1 1 calc GR . . .
H21B H 0.442067 0.185040 0.667335 0.086 Uiso 1 1 calc GR . . .
H21C H 0.613773 0.206142 0.643029 0.086 Uiso 1 1 calc GR . . .
O9 O 0.2280(4) -0.02572(15) 0.44103(15) 0.0426(7) Uani 1 1 d . U . .
N2 N 0.0859(4) -0.1424(2) 0.4246(2) 0.0432(9) Uani 1 1 d . . . .
C22 C 0.1191(7) -0.0698(3) 0.4066(3) 0.0609(14) Uani 1 1 d . U A 1
H22 H 0.055947 -0.049652 0.364610 0.073 Uiso 1 1 calc R . A 1
C23 C 0.1747(10) -0.1821(5) 0.4839(4) 0.107(3) Uani 1 1 d . . B 1
H23A H 0.266318 -0.149262 0.506956 0.160 Uiso 1 1 calc GR . B 1
H23B H 0.219403 -0.230919 0.468919 0.160 Uiso 1 1 calc GR . B 1
H23C H 0.099535 -0.193396 0.516664 0.160 Uiso 1 1 calc GR . B 1
C24 C -0.0350(9) -0.1881(5) 0.3723(4) 0.101(2) Uani 1 1 d . . C 1
H24A H -0.108931 -0.152106 0.342403 0.152 Uiso 1 1 calc GR . C 1
H24B H -0.101089 -0.222194 0.397115 0.152 Uiso 1 1 calc GR . C 1
H24C H 0.026365 -0.219625 0.343487 0.152 Uiso 1 1 calc GR . C 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
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
O1 Mg1 O3 99.19(11) . 2_545
O1 Mg1 O10 87.15(11) . .
O1 Mg1 H12A 71.9 . .
O1 Mg1 O9 172.72(12) . .
O3 Mg1 O10 173.43(11) 2_545 .
O3 Mg1 H12A 84.6 2_545 .
O3 Mg1 O9 88.09(11) 2_545 .
O10 Mg1 H12A 99.2 . .
O11 Mg1 O1 89.81(11) . .
O11 Mg1 O3 88.57(12) . 2_545
O11 Mg1 O10 89.72(11) . .
O11 Mg1 H12A 159.1 . .
O11 Mg1 O9 90.45(12) . .
O12 Mg1 O1 89.65(11) . .
O12 Mg1 O3 90.99(12) . 2_545
O12 Mg1 O10 90.77(12) . .
O12 Mg1 O11 179.24(13) . .
O12 Mg1 H12A 20.2 . .
O12 Mg1 O9 90.16(13) . .
O9 Mg1 O10 85.58(12) . .
O9 Mg1 H12A 109.0 . .
C1 O1 Mg1 139.7(2) . .
C5 O3 Mg1 136.7(2) . 2
C18 O6 H6 109.5 . .
C14 O7 H7 117.1 . .
C19 O10 Mg1 123.2(2) . .
Mg1 O11 H11A 113.9 . .
Mg1 O11 H11B 114.1 . .
H11A O11 H11B 116.8 . .
Mg1 O12 H12A 103.3 . .
Mg1 O12 H12B 115.6 . .
H12A O12 H12B 103.5 . .
C19 N1 C20 121.7(4) . .
C19 N1 C21 120.6(3) . .
C21 N1 C20 117.7(4) . .
O1 C1 O2 125.2(3) . .
O1 C1 C2 118.6(3) . .
O2 C1 C2 116.2(3) . .
C3 C2 C1 121.2(3) . .
C3 C2 C6 119.6(3) . .
C6 C2 C1 119.1(3) . .
C2 C3 H3 119.9 . .
C2 C3 C4 120.2(3) . .
C4 C3 H3 119.9 . .
C3 C4 C5 120.6(3) . .
C7 C4 C3 119.6(3) . .
C7 C4 C5 119.8(3) . .
O3 C5 O4 125.3(3) . .
O3 C5 C4 119.2(3) . .
O4 C5 C4 115.5(3) . .
C2 C6 H6A 119.7 . .
C8 C6 C2 120.6(3) . .
C8 C6 H6A 119.7 . .
C4 C7 H7A 119.6 . .
C4 C7 C8 120.7(3) . .
C8 C7 H7A 119.6 . .
C6 C8 C7 119.3(3) . .
C6 C8 C9 122.3(3) . .
C7 C8 C9 118.5(3) . .
C10 C9 C8 174.9(4) . .
C9 C10 C11 175.2(4) . .
C0AA C11 C10 119.1(3) . .
C0AA C11 C13 119.0(3) . .
C13 C11 C10 121.9(3) . .
C11 C0AA H0AA 119.5 . .
C11 C0AA C17 121.0(3) . .
C17 C0AA H0AA 119.5 . .
C11 C13 H13 119.7 . .
C15 C13 C11 120.6(3) . .
C15 C13 H13 119.7 . .
O7 C14 O8 125.9(3) . .
O7 C14 C15 117.3(3) . .
O8 C14 C15 116.8(3) . .
C13 C15 C14 120.6(3) . .
C16 C15 C13 119.4(3) . .
C16 C15 C14 120.0(3) . .
C15 C16 H16 119.7 . .
C15 C16 C17 120.7(3) . .
C17 C16 H16 119.7 . .
C0AA C17 C16 119.4(3) . .
C0AA C17 C18 119.2(3) . .
C16 C17 C18 121.4(3) . .
O5 C18 O6 124.9(3) . .
O5 C18 C17 121.5(3) . .
O6 C18 C17 113.5(3) . .
O10 C19 N1 125.3(4) . .
O10 C19 H19 117.4 . .
N1 C19 H19 117.4 . .
N1 C20 H20A 109.5 . .
N1 C20 H20B 109.5 . .
N1 C20 H20C 109.5 . .
H20A C20 H20B 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
N1 C21 H21A 109.5 . .
N1 C21 H21B 109.5 . .
N1 C21 H21C 109.5 . .
H21A C21 H21B 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
C22 O9 Mg1 120.1(3) . .
C22 N2 C23 124.2(5) . .
C22 N2 C24 116.7(5) . .
C23 N2 C24 118.4(5) . .
O9 C22 N2 125.2(5) . .
O9 C22 H22 117.4 . .
N2 C22 H22 117.4 . .
N2 C23 H23A 109.5 . .
N2 C23 H23B 109.5 . .
N2 C23 H23C 109.5 . .
H23A C23 H23B 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
N2 C24 H24A 109.5 . .
N2 C24 H24B 109.5 . .
N2 C24 H24C 109.5 . .
H24A C24 H24B 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mg1 O1 2.065(3) .
Mg1 O3 2.071(3) 2_545
Mg1 O10 2.092(3) .
Mg1 O11 2.061(3) .
Mg1 O12 2.053(3) .
Mg1 H12A 2.3956 .
Mg1 O9 2.082(3) .
O1 C1 1.236(4) .
O2 C1 1.266(4) .
O3 C5 1.241(4) .
O4 C5 1.265(4) .
O5 C18 1.217(4) .
O6 H6 0.8200 .
O6 C18 1.306(4) .
O7 H7 0.8500 .
O7 C14 1.250(4) .
O8 C14 1.251(5) .
O10 C19 1.224(4) .
O11 H11A 0.9452 .
O11 H11B 0.7893 .
O12 H12A 0.8500 .
O12 H12B 0.8500 .
N1 C19 1.322(5) .
N1 C20 1.454(5) .
N1 C21 1.451(5) .
C1 C2 1.511(4) .
C2 C3 1.388(5) .
C2 C6 1.396(5) .
C3 H3 0.9300 .
C3 C4 1.400(5) .
C4 C5 1.506(4) .
C4 C7 1.380(5) .
C6 H6A 0.9300 .
C6 C8 1.385(5) .
C7 H7A 0.9300 .
C7 C8 1.400(5) .
C8 C9 1.440(5) .
C9 C10 1.200(5) .
C10 C11 1.435(5) .
C11 C0AA 1.388(5) .
C11 C13 1.398(5) .
C0AA H0AA 0.9300 .
C0AA C17 1.389(5) .
C13 H13 0.9300 .
C13 C15 1.397(5) .
C14 C15 1.506(5) .
C15 C16 1.384(5) .
C16 H16 0.9300 .
C16 C17 1.393(5) .
C17 C18 1.483(5) .
C19 H19 0.9300 .
C20 H20A 0.9600 .
C20 H20B 0.9600 .
C20 H20C 0.9600 .
C21 H21A 0.9600 .
C21 H21B 0.9600 .
C21 H21C 0.9600 .
O9 C22 1.240(5) .
N2 C22 1.309(6) .
N2 C23 1.393(7) .
N2 C24 1.475(7) .
C22 H22 0.9300 .
C23 H23A 0.9600 .
C23 H23B 0.9600 .
C23 H23C 0.9600 .
C24 H24A 0.9600 .
C24 H24B 0.9600 .
C24 H24C 0.9600 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
Mg1 O1 C1 O2 -33.9(6) .
Mg1 O1 C1 C2 144.8(3) .
Mg1 O3 C5 O4 28.1(6) 2
Mg1 O3 C5 C4 -151.7(3) 2
Mg1 O10 C19 N1 -167.6(3) .
Mg1 O9 C22 N2 161.8(4) .
O1 C1 C2 C3 -169.7(4) .
O1 C1 C2 C6 6.9(5) .
O2 C1 C2 C3 9.1(5) .
O2 C1 C2 C6 -174.2(3) .
O7 C14 C15 C13 -164.1(4) .
O7 C14 C15 C16 16.9(6) .
O8 C14 C15 C13 17.0(6) .
O8 C14 C15 C16 -162.0(4) .
C1 C2 C3 C4 176.0(3) .
C1 C2 C6 C8 -176.0(3) .
C2 C3 C4 C5 -178.4(3) .
C2 C3 C4 C7 -0.2(5) .
C2 C6 C8 C7 0.1(6) .
C2 C6 C8 C9 -179.4(3) .
C3 C2 C6 C8 0.7(6) .
C3 C4 C5 O3 -10.0(5) .
C3 C4 C5 O4 170.2(3) .
C3 C4 C7 C8 0.9(5) .
C4 C7 C8 C6 -0.9(6) .
C4 C7 C8 C9 178.6(3) .
C5 C4 C7 C8 179.2(3) .
C6 C2 C3 C4 -0.7(5) .
C7 C4 C5 O3 171.7(3) .
C7 C4 C5 O4 -8.0(5) .
C10 C11 C0AA C17 178.8(3) .
C10 C11 C13 C15 -178.1(4) .
C11 C0AA C17 C16 -1.0(6) .
C11 C0AA C17 C18 179.0(4) .
C11 C13 C15 C14 -179.3(3) .
C11 C13 C15 C16 -0.4(6) .
C0AA C11 C13 C15 1.1(6) .
C0AA C17 C18 O5 2.0(6) .
C0AA C17 C18 O6 -177.3(3) .
C13 C11 C0AA C17 -0.4(6) .
C13 C15 C16 C17 -1.1(6) .
C14 C15 C16 C17 177.9(3) .
C15 C16 C17 C0AA 1.7(6) .
C15 C16 C17 C18 -178.2(4) .
C16 C17 C18 O5 -178.1(4) .
C16 C17 C18 O6 2.6(5) .
C20 N1 C19 O10 178.3(4) .
C21 N1 C19 O10 -0.1(7) .
C23 N2 C22 O9 -3.2(9) .
C24 N2 C22 O9 -173.3(6) .
