#------------------------------------------------------------------------------
#$Date: 2017-09-12 05:38:33 +0300 (Tue, 12 Sep 2017) $
#$Revision: 200510 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/22/90/7229098.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_7229098
loop_
_publ_author_name
'Li, Ke'
'Blatov, Vladislav A.'
'Fan, Tao'
'Zheng, Tian-Rui'
'Zhang, Ya-Qian'
'Li, Bao-Long'
'Wu, Bing'
_publ_section_title
;
 A series of Cd(II) coordination polymers based on flexible bis(triazole)
 and multicarboxylate ligands: topological diversity, entanglement and
 properties
;
_journal_name_full               CrystEngComm
_journal_paper_doi               10.1039/C7CE01176H
_journal_year                    2017
_chemical_formula_moiety         'C30 H18 Cd3 N6 O12'
_chemical_formula_sum            'C30 H18 Cd3 N6 O12'
_chemical_formula_weight         991.73
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2017-03-30
_audit_creation_method
;
Olex2 1.2-alpha
(compiled 2016.11.07 svn.r3352 for OlexSys, GUI svn.r5261)
;
_audit_update_record
;
2017-08-08 deposited with the CCDC.
2017-09-11 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 109.949(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.622(3)
_cell_length_b                   16.126(3)
_cell_length_c                   18.280(4)
_cell_measurement_reflns_used    6925
_cell_measurement_temperature    293.1500
_cell_measurement_theta_max      27.5049
_cell_measurement_theta_min      3.1821
_cell_volume                     3774.6(14)
_computing_cell_refinement       'CrystalClear (Rigaku Inc., 2007)'
_computing_data_collection       'CrystalClear (Rigaku Inc., 2007)'
_computing_data_reduction        'CrystalClear (Rigaku Inc., 2007)'
_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
;
????
;
_diffrn_ambient_temperature      293.1500
_diffrn_detector_area_resol_mean 28.5714
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_details
;
scan:
    Number of images: 360
               Slice: -110.0000 - 70.0000
         Image width: 0.5000
            Exp time: 1.0000
       Rotation axis: Omega
               Omega: 0.0000
                 Chi: 45.0000
                 Phi: 0.0000
                 XTD: 35.0219
              2theta: -19.8713
;
_diffrn_measurement_device
;
Saturn724+ (2x2 bin mode)
;
_diffrn_measurement_device_details
;
AFC10: Fixed Chi 2 circle
;
_diffrn_measurement_device_type  'Rigaku Saturn 724'
_diffrn_measurement_method       dtprofit.ref
_diffrn_orient_matrix_type       d*Trek
_diffrn_orient_matrix_UB_11      -0.0157
_diffrn_orient_matrix_UB_12      0.0666
_diffrn_orient_matrix_UB_13      -0.0377
_diffrn_orient_matrix_UB_21      0.0604
_diffrn_orient_matrix_UB_22      0.0140
_diffrn_orient_matrix_UB_23      -0.0004
_diffrn_orient_matrix_UB_31      0.0016
_diffrn_orient_matrix_UB_32      -0.0088
_diffrn_orient_matrix_UB_33      -0.0575
_diffrn_radiation_detector       CCD
_diffrn_radiation_monochromator  'Graphite Monochromator'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0329
_diffrn_reflns_av_unetI/netI     0.0519
_diffrn_reflns_Laue_measured_fraction_full 0.989
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            8322
_diffrn_reflns_point_group_measured_fraction_full 0.989
_diffrn_reflns_point_group_measured_fraction_max 0.988
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.594
_diffrn_reflns_theta_min         3.182
_diffrn_source                   'Sealed Tube'
_diffrn_source_current           40.0000
_diffrn_source_power             2.0000
_diffrn_source_voltage           50.0000
_exptl_absorpt_coefficient_mu    1.738
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.7360
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.745
_exptl_crystal_description       Platelet
_exptl_crystal_F_000             1920
_exptl_crystal_size_max          0.6
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_refine_diff_density_max         1.424
_refine_diff_density_min         -0.587
_refine_diff_density_rms         0.118
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.078
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     231
_refine_ls_number_reflns         3909
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.078
_refine_ls_R_factor_all          0.0574
_refine_ls_R_factor_gt           0.0441
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0499P)²+4.1277P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1001
_refine_ls_wR_factor_ref         0.1064
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3286
_reflns_number_total             3909
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c7ce01176h2.cif
_cod_data_source_block           3cdbtrbbtc_sq
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 
;
_cod_original_cell_volume        3774.5(13)
_cod_database_code               7229098
_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   0.722
_shelx_estimated_absorpt_t_min   0.422
_diffrn_number_total             4419
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C4(H4A,H4B)
2.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C5(H5), C6(H6), C8(H8), C10(H10), C12(H12)
;
_shelx_shelxl_version_number     2016/6
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
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
Cd1 Cd 0.500000 0.16921(3) 0.750000 0.02295(14) Uani 1 2 d S T P
Cd2 Cd 0.56006(3) 0.10100(2) 0.57044(2) 0.02992(13) Uani 1 1 d . . .
O1 O 0.5785(3) 0.0649(2) 0.70104(18) 0.0297(8) Uani 1 1 d . . .
O2 O 0.6714(3) -0.0006(2) 0.6424(2) 0.0411(10) Uani 1 1 d . . .
O3 O 0.5537(3) -0.0637(3) 0.9470(2) 0.0503(11) Uani 1 1 d . . .
O4 O 0.6881(4) -0.1364(3) 1.0171(2) 0.0578(12) Uani 1 1 d . . .
O5 O 0.9192(3) -0.2664(2) 0.8878(2) 0.0388(9) Uani 1 1 d . . .
O6 O 0.8866(4) -0.2392(2) 0.7623(2) 0.0517(11) Uani 1 1 d . . .
N1 N 0.3705(3) 0.1552(3) 0.6209(2) 0.0331(10) Uani 1 1 d . . .
N2 N 0.3911(4) 0.1238(3) 0.5575(2) 0.0365(10) Uani 1 1 d . . .
N3 N 0.2247(4) 0.1436(3) 0.5242(3) 0.0441(12) Uani 1 1 d . . .
C1 C 0.0546(5) 0.0692(4) 0.4893(4) 0.0559(18) Uani 1 1 d . . .
C2 C 0.0759(8) -0.0085(6) 0.4688(7) 0.113(4) Uani 1 1 d . . .
H2 H 0.128373 -0.016236 0.447686 0.136 Uiso 1 1 calc R . .
C3 C -0.0184(9) 0.0761(6) 0.5202(7) 0.114(4) Uani 1 1 d . . .
H3 H -0.032694 0.128296 0.535673 0.137 Uiso 1 1 calc R . .
C4 C 0.1117(5) 0.1455(5) 0.4771(5) 0.071(2) Uani 1 1 d . . .
H4A H 0.103810 0.149711 0.422435 0.085 Uiso 1 1 calc R . .
H4B H 0.080306 0.194323 0.490873 0.085 Uiso 1 1 calc R . .
C5 C 0.2697(5) 0.1665(3) 0.5982(3) 0.0432(14) Uani 1 1 d . . .
H5 H 0.234075 0.187617 0.629447 0.052 Uiso 1 1 calc R . .
C6 C 0.3027(5) 0.1171(4) 0.5003(3) 0.0439(14) Uani 1 1 d . . .
H6 H 0.294709 0.097122 0.450882 0.053 Uiso 1 1 calc R . .
C7 C 0.6812(4) -0.0509(3) 0.7665(3) 0.0287(11) Uani 1 1 d . . .
C8 C 0.6415(4) -0.0487(3) 0.8277(3) 0.0287(11) Uani 1 1 d . . .
H8 H 0.589905 -0.010596 0.827075 0.034 Uiso 1 1 calc R . .
C9 C 0.6796(4) -0.1037(3) 0.8892(3) 0.0310(12) Uani 1 1 d . . .
C10 C 0.7557(4) -0.1602(3) 0.8895(3) 0.0331(12) Uani 1 1 d . . .
H10 H 0.782504 -0.195846 0.931617 0.040 Uiso 1 1 calc R . .
C11 C 0.7930(4) -0.1643(3) 0.8275(3) 0.0307(11) Uani 1 1 d . . .
C12 C 0.7562(4) -0.1086(3) 0.7665(3) 0.0312(11) Uani 1 1 d . . .
H12 H 0.781979 -0.110084 0.725526 0.037 Uiso 1 1 calc R . .
C13 C 0.6427(4) 0.0081(3) 0.7000(3) 0.0269(10) Uani 1 1 d . . .
C14 C 0.6374(5) -0.1013(3) 0.9549(3) 0.0325(12) Uani 1 1 d . . .
C15 C 0.8724(4) -0.2287(3) 0.8261(3) 0.0310(11) Uani 1 1 d . . .
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'
Cd Cd -0.8075 1.2024 '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'
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 Cd1 O1 87.55(17) 2_656 .
O1 Cd1 N1 91.70(13) 2_656 .
O1 Cd1 N1 80.57(13) . .
O1 Cd1 N1 80.57(13) 2_656 2_656
O1 Cd1 N1 91.71(13) . 2_656
O6 Cd1 O1 162.34(14) 4_656 2_656
O6 Cd1 O1 162.34(14) 3_455 .
O6 Cd1 O1 90.86(15) 3_455 2_656
O6 Cd1 O1 90.86(14) 4_656 .
O6 Cd1 O6 95.8(2) 4_656 3_455
O6 Cd1 N1 81.90(15) 4_656 2_656
O6 Cd1 N1 105.39(14) 4_656 .
O6 Cd1 N1 81.90(15) 3_455 .
O6 Cd1 N1 105.39(14) 3_455 2_656
N1 Cd1 N1 169.3(2) 2_656 .
O1 Cd2 C13 28.04(12) . .
O1 Cd2 C14 149.19(15) . 6
O2 Cd2 O1 55.50(11) . .
O2 Cd2 O4 88.39(16) . 6
O2 Cd2 C13 27.51(13) . .
O2 Cd2 C14 95.26(14) . 6
O3 Cd2 O1 150.53(14) 6 .
O3 Cd2 O2 99.76(15) 6 .
O3 Cd2 O4 56.00(14) 6 6
O3 Cd2 C13 125.31(16) 6 .
O3 Cd2 C14 28.11(15) 6 6
O4 Cd2 O1 129.58(14) 6 .
O4 Cd2 C13 110.70(16) 6 .
O4 Cd2 C14 27.91(15) 6 6
O5 Cd2 O1 86.26(12) 4_656 .
O5 Cd2 O2 119.80(13) 4_656 .
O5 Cd2 O3 122.43(15) 4_656 6
O5 Cd2 O4 83.39(15) 4_656 6
O5 Cd2 N2 83.48(15) 4_656 .
O5 Cd2 C13 105.21(14) 4_656 .
O5 Cd2 C14 103.24(14) 4_656 6
N2 Cd2 O1 84.29(13) . .
N2 Cd2 O2 128.39(15) . .
N2 Cd2 O3 104.07(16) . 6
N2 Cd2 O4 142.47(17) . 6
N2 Cd2 C13 106.65(15) . .
N2 Cd2 C14 125.51(16) . 6
C14 Cd2 C13 122.47(16) 6 .
Cd1 O1 Cd2 107.60(12) . .
C13 O1 Cd1 159.1(3) . .
C13 O1 Cd2 90.0(3) . .
C13 O2 Cd2 93.8(3) . .
C14 O3 Cd2 91.8(3) . 6_556
C14 O4 Cd2 90.6(3) . 6_556
C15 O5 Cd2 137.3(3) . 4_646
C15 O6 Cd1 121.4(3) . 3_545
N2 N1 Cd1 124.2(3) . .
C5 N1 Cd1 129.2(4) . .
C5 N1 N2 106.2(4) . .
N1 N2 Cd2 117.6(3) . .
C6 N2 Cd2 134.3(4) . .
C6 N2 N1 108.0(5) . .
C5 N3 C4 127.5(6) . .
C5 N3 C6 106.0(5) . .
C6 N3 C4 126.4(6) . .
C2 C1 C4 122.5(8) . .
C3 C1 C2 117.5(7) . .
C3 C1 C4 120.1(8) . .
C1 C2 H2 120.2 . .
C1 C2 C3 119.6(9) . 5_556
C3 C2 H2 120.2 5_556 .
C1 C3 C2 122.9(9) . 5_556
C1 C3 H3 118.6 . .
C2 C3 H3 118.6 5_556 .
N3 C4 C1 112.4(5) . .
N3 C4 H4A 109.1 . .
N3 C4 H4B 109.1 . .
C1 C4 H4A 109.1 . .
C1 C4 H4B 109.1 . .
H4A C4 H4B 107.8 . .
N1 C5 N3 110.7(5) . .
N1 C5 H5 124.7 . .
N3 C5 H5 124.7 . .
N2 C6 N3 109.2(5) . .
N2 C6 H6 125.4 . .
N3 C6 H6 125.4 . .
C8 C7 C13 120.7(4) . .
C12 C7 C8 120.3(4) . .
C12 C7 C13 119.0(4) . .
C7 C8 H8 120.3 . .
C9 C8 C7 119.5(4) . .
C9 C8 H8 120.3 . .
C8 C9 C14 119.6(4) . .
C10 C9 C8 120.0(4) . .
C10 C9 C14 120.4(4) . .
C9 C10 H10 119.7 . .
C9 C10 C11 120.7(5) . .
C11 C10 H10 119.7 . .
C10 C11 C15 120.7(4) . .
C12 C11 C10 119.4(4) . .
C12 C11 C15 119.9(4) . .
C7 C12 C11 120.1(4) . .
C7 C12 H12 119.9 . .
C11 C12 H12 119.9 . .
O1 C13 Cd2 62.0(2) . .
O1 C13 C7 120.0(4) . .
O2 C13 Cd2 58.7(2) . .
O2 C13 O1 120.5(4) . .
O2 C13 C7 119.4(4) . .
C7 C13 Cd2 173.6(4) . .
O3 C14 Cd2 60.1(3) . 6_556
O3 C14 C9 120.1(5) . .
O4 C14 Cd2 61.5(3) . 6_556
O4 C14 O3 121.5(5) . .
O4 C14 C9 118.4(5) . .
C9 C14 Cd2 178.4(4) . 6_556
O5 C15 O6 125.4(5) . .
O5 C15 C11 118.0(4) . .
O6 C15 C11 116.6(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cd1 O1 2.330(3) .
Cd1 O1 2.330(3) 2_656
Cd1 O6 2.203(4) 3_455
Cd1 O6 2.203(4) 4_656
Cd1 N1 2.428(4) 2_656
Cd1 N1 2.428(4) .
Cd2 O1 2.386(3) .
Cd2 O2 2.314(4) .
Cd2 O3 2.308(3) 6
Cd2 O4 2.340(4) 6
Cd2 O5 2.255(3) 4_656
Cd2 N2 2.263(5) .
Cd2 C13 2.703(5) .
Cd2 C14 2.663(5) 6
O1 C13 1.270(6) .
O2 C13 1.251(5) .
O3 C14 1.255(7) .
O4 C14 1.246(6) .
O5 C15 1.248(6) .
O6 C15 1.258(6) .
N1 N2 1.378(6) .
N1 C5 1.305(7) .
N2 C6 1.302(7) .
N3 C4 1.485(7) .
N3 C5 1.334(7) .
N3 C6 1.349(8) .
C1 C2 1.366(11) .
C1 C3 1.305(11) .
C1 C4 1.513(9) .
C2 H2 0.9300 .
C2 C3 1.396(12) 5_556
C3 H3 0.9300 .
C4 H4A 0.9700 .
C4 H4B 0.9700 .
C5 H5 0.9300 .
C6 H6 0.9300 .
C7 C8 1.399(6) .
C7 C12 1.382(6) .
C7 C13 1.490(6) .
C8 H8 0.9300 .
C8 C9 1.386(6) .
C9 C10 1.379(7) .
C9 C14 1.499(7) .
C10 H10 0.9300 .
C10 C11 1.393(7) .
C11 C12 1.385(7) .
C11 C15 1.505(7) .
C12 H12 0.9300 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
Cd1 O1 C13 Cd2 -148.0(9) . .
Cd1 O1 C13 O2 -143.5(7) . .
Cd1 O1 C13 C7 38.9(12) . .
Cd1 O6 C15 O5 0.6(8) 3_545 .
Cd1 O6 C15 C11 180.0(3) 3_545 .
Cd1 N1 N2 Cd2 -9.1(5) . .
Cd1 N1 N2 C6 173.4(4) . .
Cd1 N1 C5 N3 -173.1(3) . .
Cd2 O1 C13 O2 4.5(5) . .
Cd2 O1 C13 C7 -173.1(4) . .
Cd2 O2 C13 O1 -4.6(5) . .
Cd2 O2 C13 C7 173.0(4) . .
Cd2 O3 C14 O4 -2.7(6) 6_556 .
Cd2 O3 C14 C9 178.2(4) 6_556 .
Cd2 O4 C14 O3 2.7(6) 6_556 .
Cd2 O4 C14 C9 -178.2(4) 6_556 .
Cd2 O5 C15 O6 -59.4(8) 4_646 .
Cd2 O5 C15 C11 121.2(5) 4_646 .
Cd2 N2 C6 N3 -176.6(4) . .
N1 N2 C6 N3 0.4(6) . .
N2 N1 C5 N3 0.4(6) . .
C2 C1 C3 C2 -1.5(19) . 5_556
C2 C1 C4 N3 -64.2(11) . .
C3 C1 C2 C3 1.5(19) . 5_556
C3 C1 C4 N3 116.0(9) . .
C4 N3 C5 N1 179.0(5) . .
C4 N3 C6 N2 -179.3(5) . .
C4 C1 C2 C3 -178.3(9) . 5_556
C4 C1 C3 C2 178.3(10) . 5_556
C5 N1 N2 Cd2 177.1(3) . .
C5 N1 N2 C6 -0.5(6) . .
C5 N3 C4 C1 -84.1(9) . .
C5 N3 C6 N2 -0.1(6) . .
C6 N3 C4 C1 95.0(8) . .
C6 N3 C5 N1 -0.2(6) . .
C7 C8 C9 C10 -0.2(8) . .
C7 C8 C9 C14 179.8(5) . .
C8 C7 C12 C11 -0.4(8) . .
C8 C7 C13 O1 4.9(8) . .
C8 C7 C13 O2 -172.7(5) . .
C8 C9 C10 C11 -1.9(8) . .
C8 C9 C14 O3 15.8(8) . .
C8 C9 C14 O4 -163.4(5) . .
C9 C10 C11 C12 2.8(8) . .
C9 C10 C11 C15 -177.1(5) . .
C10 C9 C14 O3 -164.2(5) . .
C10 C9 C14 O4 16.7(8) . .
C10 C11 C12 C7 -1.7(8) . .
C10 C11 C15 O5 -14.3(8) . .
C10 C11 C15 O6 166.3(5) . .
C12 C7 C8 C9 1.4(8) . .
C12 C7 C13 O1 -175.7(5) . .
C12 C7 C13 O2 6.7(8) . .
C12 C11 C15 O5 165.8(5) . .
C12 C11 C15 O6 -13.6(8) . .
C13 C7 C8 C9 -179.3(5) . .
C13 C7 C12 C11 -179.8(5) . .
C14 C9 C10 C11 178.1(5) . .
C15 C11 C12 C7 178.3(5) . .
