#------------------------------------------------------------------------------
#$Date: 2019-11-17 14:15:25 +0200 (Sun, 17 Nov 2019) $
#$Revision: 230426 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/05/70/7057025.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_7057025
loop_
_publ_author_name
'Pan, Yangdan'
'Zhang, Haifeng'
'Qin, Yaru'
'Ge, Yu'
'Cui, Yanfeng'
'Li, Yahong'
'Liu, Wei'
'Dong, Yaping'
_publ_section_title
;
 Eight homodinuclear lanthanide complexes prepared from a quinoline based
 ligand: structural diversity and single-molecule magnetism behaviour
;
_journal_issue                   7
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              5153
_journal_paper_doi               10.1039/C7NJ04622G
_journal_volume                  42
_journal_year                    2018
_chemical_formula_moiety         'C36 H30 Dy2 N8 O16'
_chemical_formula_sum            'C36 H30 Dy2 N8 O16'
_chemical_formula_weight         1155.68
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2018-01-21
_audit_creation_method
;
Olex2 1.2
(compiled 2017.08.10 svn.r3458 for OlexSys, GUI svn.r5381)
;
_audit_update_record
;
2018-02-01 deposited with the CCDC.
2018-02-13 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 106.185(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.1598(6)
_cell_length_b                   13.9123(8)
_cell_length_c                   15.9391(10)
_cell_measurement_reflns_used    9925
_cell_measurement_temperature    296.15
_cell_measurement_theta_max      27.502
_cell_measurement_theta_min      2.749
_cell_volume                     1950.7(2)
_computing_cell_refinement       'SAINT v8.37A (Bruker, 2015)'
_computing_data_collection       'SAINT v8.37A (Bruker, 2015)'
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_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      296.15
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.990
_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  0.0663
_diffrn_reflns_av_unetI/netI     0.0254
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            73150
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.666
_diffrn_reflns_theta_min         2.661
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.887
_exptl_absorpt_correction_T_max  0.678
_exptl_absorpt_correction_T_min  0.409
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'SADABS-2014/5 (Bruker,2014/5) was used for absorption correction. wR2(int) was 0.1644 before and 0.0744 after correction. The Ratio of minimum to maximum transmission is 0.7296. The λ/2 correction factor is Not present.'
_exptl_crystal_colour            'clear yellowish yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   yellowish
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.968
_exptl_crystal_description       block
_exptl_crystal_F_000             1124
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.447
_refine_diff_density_min         -0.820
_refine_diff_density_rms         0.085
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.093
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     281
_refine_ls_number_reflns         4545
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.093
_refine_ls_R_factor_all          0.0289
_refine_ls_R_factor_gt           0.0207
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0088P)²+1.4078P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0387
_refine_ls_wR_factor_ref         0.0405
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3899
_reflns_number_total             4545
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c7nj04622g2.cif
_cod_data_source_block           b170121f_0m
_cod_depositor_comments
'Adding full bibliography for 7057018--7057025.cif.'
_cod_database_code               7057025
_shelx_shelxl_version_number     2014/7
_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   0.697
_shelx_estimated_absorpt_t_min   0.443
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C11(H11A,H11B)
2.b Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C4(H4), C7(H7), C8(H8), C10(H10), C13(H13), C14(H14),
 C15(H15)
2.c Idealised Me refined as rotating group:
 C18(H18A,H18B,H18C)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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
Dy1 Dy 0.49297(2) 0.63164(2) 0.51781(2) 0.02349(4) Uani 1 1 d .
O1 O 0.37846(18) 0.48846(10) 0.53435(10) 0.0253(4) Uani 1 1 d .
O2 O 0.3805(2) 0.30700(12) 0.58798(11) 0.0346(4) Uani 1 1 d .
O3 O 0.5792(2) 0.60656(13) 0.67538(11) 0.0360(4) Uani 1 1 d .
O4 O 0.7540(2) 0.63367(12) 0.61174(12) 0.0367(4) Uani 1 1 d .
O5 O 0.8160(2) 0.60513(16) 0.75161(13) 0.0547(6) Uani 1 1 d .
O6 O 0.3191(2) 0.74252(13) 0.41943(12) 0.0415(5) Uani 1 1 d .
O7 O 0.3170(2) 0.59937(13) 0.36852(12) 0.0402(4) Uani 1 1 d .
O8 O 0.2023(2) 0.71522(15) 0.28310(12) 0.0507(5) Uani 1 1 d .
N1 N 0.5317(2) 0.80456(14) 0.58976(13) 0.0332(5) Uani 1 1 d .
N2 N 0.2863(2) 0.68260(15) 0.57532(13) 0.0315(5) Uani 1 1 d .
N3 N 0.7204(3) 0.61477(14) 0.68221(14) 0.0351(5) Uani 1 1 d .
N4 N 0.2766(2) 0.68622(16) 0.35457(14) 0.0357(5) Uani 1 1 d .
C1 C 0.7718(4) 0.8462(2) 0.5643(2) 0.0479(7) Uani 1 1 d .
H1 H 0.7770 0.7858 0.5402 0.058 Uiso 1 1 calc R
C2 C 0.8851(4) 0.9124(2) 0.5675(2) 0.0589(9) Uani 1 1 d .
H2 H 0.9657 0.8964 0.5453 0.071 Uiso 1 1 calc R
C3 C 0.8799(5) 1.0040(2) 0.6043(2) 0.0662(11) Uani 1 1 d .
H3 H 0.9554 1.0489 0.6047 0.079 Uiso 1 1 calc R
C4 C 0.7657(5) 1.0270(2) 0.6391(2) 0.0629(10) Uani 1 1 d .
H4 H 0.7651 1.0870 0.6648 0.075 Uiso 1 1 calc R
C5 C 0.6472(4) 0.96115(19) 0.63714(18) 0.0476(8) Uani 1 1 d .
C6 C 0.6480(3) 0.86911(18) 0.59704(18) 0.0391(6) Uani 1 1 d .
C7 C 0.5289(4) 0.9804(2) 0.6753(2) 0.0551(9) Uani 1 1 d .
H7 H 0.5286 1.0377 0.7053 0.066 Uiso 1 1 calc R
C8 C 0.4167(4) 0.9165(2) 0.66845(19) 0.0503(8) Uani 1 1 d .
H8 H 0.3379 0.9291 0.6931 0.060 Uiso 1 1 calc R
C9 C 0.4201(3) 0.83005(19) 0.62331(17) 0.0382(6) Uani 1 1 d .
C10 C 0.2895(3) 0.76426(19) 0.61061(17) 0.0381(6) Uani 1 1 d .
H10 H 0.2065 0.7836 0.6293 0.046 Uiso 1 1 calc R
C11 C 0.1469(3) 0.62533(19) 0.55538(18) 0.0374(6) Uani 1 1 d .
H11A H 0.1074 0.6190 0.4925 0.045 Uiso 1 1 calc R
H11B H 0.0714 0.6590 0.5765 0.045 Uiso 1 1 calc R
C12 C 0.1708(3) 0.52727(19) 0.59542(16) 0.0317(5) Uani 1 1 d .
C13 C 0.0761(3) 0.4969(2) 0.64586(18) 0.0421(7) Uani 1 1 d .
H13 H 0.0065 0.5399 0.6576 0.050 Uiso 1 1 calc R
C14 C 0.0841(3) 0.4055(2) 0.67820(18) 0.0461(7) Uani 1 1 d .
H14 H 0.0217 0.3875 0.7126 0.055 Uiso 1 1 calc R
C15 C 0.1838(3) 0.3401(2) 0.66016(17) 0.0391(6) Uani 1 1 d .
H15 H 0.1876 0.2773 0.6806 0.047 Uiso 1 1 calc R
C16 C 0.2784(3) 0.36978(17) 0.61104(16) 0.0299(5) Uani 1 1 d .
C17 C 0.2784(3) 0.46322(17) 0.57964(14) 0.0254(5) Uani 1 1 d .
C18 C 0.4042(4) 0.2154(2) 0.6328(2) 0.0515(8) Uani 1 1 d .
H18A H 0.4744 0.1776 0.6119 0.077 Uiso 1 1 calc GR
H18B H 0.3090 0.1820 0.6219 0.077 Uiso 1 1 calc GR
H18C H 0.4447 0.2259 0.6945 0.077 Uiso 1 1 calc GR
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'
Dy Dy -0.1892 4.4098 '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 Dy1 Dy1 36.86(4) . 3_666
O1 Dy1 Dy1 36.37(4) 3_666 3_666
O1 Dy1 O1 73.23(6) . 3_666
O1 Dy1 O2 67.72(5) 3_666 3_666
O1 Dy1 O2 134.33(6) . 3_666
O1 Dy1 O3 102.37(6) 3_666 .
O1 Dy1 O3 77.60(6) . .
O1 Dy1 O4 109.85(6) . .
O1 Dy1 O4 73.79(6) 3_666 .
O1 Dy1 O6 112.54(6) . .
O1 Dy1 O6 121.85(6) 3_666 .
O1 Dy1 O7 77.79(6) 3_666 .
O1 Dy1 O7 76.19(6) . .
O1 Dy1 N1 141.95(6) 3_666 .
O1 Dy1 N1 138.42(6) . .
O1 Dy1 N2 150.47(6) 3_666 .
O1 Dy1 N2 77.36(6) . .
O1 Dy1 N3 93.60(6) . .
O1 Dy1 N3 87.51(6) 3_666 .
O1 Dy1 N4 96.33(6) . .
O1 Dy1 N4 98.91(6) 3_666 .
O2 Dy1 Dy1 101.26(4) 3_666 3_666
O2 Dy1 O7 73.29(6) 3_666 .
O2 Dy1 N1 87.10(6) 3_666 .
O2 Dy1 N3 107.16(6) 3_666 .
O2 Dy1 N4 68.11(6) 3_666 .
O3 Dy1 Dy1 90.07(4) . 3_666
O3 Dy1 O2 132.76(6) . 3_666
O3 Dy1 O4 52.37(6) . .
O3 Dy1 O6 135.78(6) . .
O3 Dy1 O7 152.52(6) . .
O3 Dy1 N1 73.62(6) . .
O3 Dy1 N3 26.18(6) . .
O3 Dy1 N4 154.99(6) . .
O4 Dy1 Dy1 92.03(4) . 3_666
O4 Dy1 O2 81.26(6) . 3_666
O4 Dy1 O6 137.48(6) . .
O4 Dy1 O7 147.36(6) . .
O4 Dy1 N1 74.55(6) . .
O4 Dy1 N3 26.19(6) . .
O4 Dy1 N4 148.77(6) . .
O6 Dy1 Dy1 124.61(4) . 3_666
O6 Dy1 O2 71.78(6) . 3_666
O6 Dy1 O7 51.30(6) . .
O6 Dy1 N1 71.89(6) . .
O6 Dy1 N3 144.59(6) . .
O6 Dy1 N4 25.72(6) . .
O7 Dy1 Dy1 73.72(4) . 3_666
O7 Dy1 N1 123.06(6) . .
O7 Dy1 N3 163.98(6) . .
O7 Dy1 N4 25.80(6) . .
N1 Dy1 Dy1 163.07(4) . 3_666
N1 Dy1 N3 72.71(6) . .
N1 Dy1 N4 97.26(6) . .
N2 Dy1 Dy1 114.18(5) . 3_666
N2 Dy1 O2 136.56(6) . 3_666
N2 Dy1 O3 73.50(6) . .
N2 Dy1 O4 119.89(7) . .
N2 Dy1 O6 67.72(7) . .
N2 Dy1 O7 92.73(7) . .
N2 Dy1 N1 66.14(7) . .
N2 Dy1 N3 97.08(7) . .
N2 Dy1 N4 81.50(6) . .
N3 Dy1 Dy1 90.67(4) . 3_666
N3 Dy1 N4 169.39(6) . .
N4 Dy1 Dy1 99.52(5) . 3_666
Dy1 O1 Dy1 106.77(6) . 3_666
C17 O1 Dy1 132.84(13) . .
C17 O1 Dy1 119.14(13) . 3_666
C16 O2 Dy1 116.20(13) . 3_666
C16 O2 C18 116.0(2) . .
C18 O2 Dy1 127.77(16) . 3_666
N3 O3 Dy1 96.04(14) . .
N3 O4 Dy1 95.90(14) . .
N4 O6 Dy1 97.48(14) . .
N4 O7 Dy1 94.29(14) . .
C6 N1 Dy1 129.67(17) . .
C9 N1 Dy1 113.09(17) . .
C9 N1 C6 117.2(2) . .
C10 N2 Dy1 120.40(19) . .
C10 N2 C11 119.8(2) . .
C11 N2 Dy1 118.95(15) . .
O3 N3 Dy1 57.78(12) . .
O4 N3 Dy1 57.91(12) . .
O4 N3 O3 115.7(2) . .
O5 N3 Dy1 178.33(18) . .
O5 N3 O3 121.8(2) . .
O5 N3 O4 122.5(2) . .
O6 N4 Dy1 56.80(12) . .
O7 N4 Dy1 59.91(12) . .
O7 N4 O6 116.0(2) . .
O8 N4 Dy1 171.03(17) . .
O8 N4 O6 121.4(2) . .
O8 N4 O7 122.6(2) . .
C2 C1 H1 119.7 . .
C2 C1 C6 120.6(3) . .
C6 C1 H1 119.7 . .
C1 C2 H2 119.7 . .
C1 C2 C3 120.5(4) . .
C3 C2 H2 119.7 . .
C2 C3 H3 119.9 . .
C4 C3 C2 120.3(3) . .
C4 C3 H3 119.9 . .
C3 C4 H4 119.5 . .
C3 C4 C5 120.9(3) . .
C5 C4 H4 119.5 . .
C4 C5 C6 119.4(3) . .
C7 C5 C4 123.1(3) . .
C7 C5 C6 117.5(3) . .
N1 C6 C1 120.3(2) . .
N1 C6 C5 121.5(3) . .
C1 C6 C5 118.2(3) . .
C5 C7 H7 119.9 . .
C8 C7 C5 120.3(3) . .
C8 C7 H7 119.9 . .
C7 C8 H8 120.6 . .
C7 C8 C9 118.9(3) . .
C9 C8 H8 120.6 . .
N1 C9 C8 124.3(3) . .
N1 C9 C10 117.7(2) . .
C8 C9 C10 117.9(3) . .
N2 C10 C9 122.5(2) . .
N2 C10 H10 118.8 . .
C9 C10 H10 118.8 . .
N2 C11 H11A 109.0 . .
N2 C11 H11B 109.0 . .
N2 C11 C12 112.9(2) . .
H11A C11 H11B 107.8 . .
C12 C11 H11A 109.0 . .
C12 C11 H11B 109.0 . .
C13 C12 C11 118.6(2) . .
C13 C12 C17 119.3(2) . .
C17 C12 C11 122.0(2) . .
C12 C13 H13 119.3 . .
C14 C13 C12 121.4(3) . .
C14 C13 H13 119.3 . .
C13 C14 H14 119.8 . .
C13 C14 C15 120.4(3) . .
C15 C14 H14 119.8 . .
C14 C15 H15 120.7 . .
C14 C15 C16 118.6(3) . .
C16 C15 H15 120.7 . .
C15 C16 O2 122.1(2) . .
C15 C16 C17 123.0(2) . .
C17 C16 O2 114.9(2) . .
O1 C17 C12 122.8(2) . .
O1 C17 C16 119.9(2) . .
C16 C17 C12 117.3(2) . .
O2 C18 H18A 109.5 . .
O2 C18 H18B 109.5 . .
O2 C18 H18C 109.5 . .
H18A C18 H18B 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Dy1 Dy1 3.7142(3) 3_666
Dy1 O1 2.3004(15) .
Dy1 O1 2.3270(15) 3_666
Dy1 O2 2.4503(16) 3_666
Dy1 O3 2.4386(17) .
Dy1 O4 2.4416(19) .
Dy1 O6 2.4461(18) .
Dy1 O7 2.5148(19) .
Dy1 N1 2.646(2) .
Dy1 N2 2.428(2) .
Dy1 N3 2.867(2) .
Dy1 N4 2.898(2) .
O1 Dy1 2.3270(15) 3_666
O1 C17 1.361(3) .
O2 Dy1 2.4502(16) 3_666
O2 C16 1.402(3) .
O2 C18 1.447(3) .
O3 N3 1.272(3) .
O4 N3 1.272(3) .
O5 N3 1.212(3) .
O6 N4 1.269(3) .
O7 N4 1.265(3) .
O8 N4 1.221(3) .
N1 C6 1.373(3) .
N1 C9 1.327(3) .
N2 C10 1.264(3) .
N2 C11 1.462(3) .
C1 H1 0.9300 .
C1 C2 1.378(4) .
C1 C6 1.411(4) .
C2 H2 0.9300 .
C2 C3 1.410(5) .
C3 H3 0.9300 .
C3 C4 1.352(6) .
C4 H4 0.9300 .
C4 C5 1.414(5) .
C5 C6 1.432(4) .
C5 C7 1.408(5) .
C7 H7 0.9300 .
C7 C8 1.340(5) .
C8 H8 0.9300 .
C8 C9 1.406(4) .
C9 C10 1.475(4) .
C10 H10 0.9300 .
C11 H11A 0.9700 .
C11 H11B 0.9700 .
C11 C12 1.496(4) .
C12 C13 1.402(4) .
C12 C17 1.402(3) .
C13 H13 0.9300 .
C13 C14 1.366(4) .
C14 H14 0.9300 .
C14 C15 1.376(4) .
C15 H15 0.9300 .
C15 C16 1.383(4) .
C16 C17 1.393(3) .
C18 H18A 0.9600 .
C18 H18B 0.9600 .
C18 H18C 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
Dy1 O1 C17 C12 30.2(3) .
Dy1 O1 C17 C12 -164.48(18) 3_666
Dy1 O1 C17 C16 -151.00(17) .
Dy1 O1 C17 C16 14.3(3) 3_666
Dy1 O2 C16 C15 170.73(19) 3_666
Dy1 O2 C16 C17 -8.4(3) 3_666
Dy1 O3 N3 O4 1.9(2) .
Dy1 O3 N3 O5 -178.1(2) .
Dy1 O4 N3 O3 -1.9(2) .
Dy1 O4 N3 O5 178.1(2) .
Dy1 O6 N4 O7 9.8(2) .
Dy1 O6 N4 O8 -169.6(2) .
Dy1 O7 N4 O6 -9.5(2) .
Dy1 O7 N4 O8 169.9(2) .
Dy1 N1 C6 C1 -0.9(4) .
Dy1 N1 C6 C5 178.67(18) .
Dy1 N1 C9 C8 177.2(2) .
Dy1 N1 C9 C10 -4.3(3) .
Dy1 N2 C10 C9 -3.5(3) .
Dy1 N2 C11 C12 65.8(2) .
O2 C16 C17 O1 -3.3(3) .
O2 C16 C17 C12 175.5(2) .
N1 C9 C10 N2 5.5(4) .
N2 C11 C12 C13 127.7(3) .
N2 C11 C12 C17 -56.2(3) .
C1 C2 C3 C4 1.9(5) .
C2 C1 C6 N1 176.8(3) .
C2 C1 C6 C5 -2.8(4) .
C2 C3 C4 C5 -1.9(5) .
C3 C4 C5 C6 -0.5(5) .
C3 C4 C5 C7 177.6(3) .
C4 C5 C6 N1 -176.8(3) .
C4 C5 C6 C1 2.8(4) .
C4 C5 C7 C8 177.5(3) .
C5 C7 C8 C9 0.5(4) .
C6 N1 C9 C8 -2.7(4) .
C6 N1 C9 C10 175.9(2) .
C6 C1 C2 C3 0.5(5) .
C6 C5 C7 C8 -4.3(4) .
C7 C5 C6 N1 5.0(4) .
C7 C5 C6 C1 -175.4(3) .
C7 C8 C9 N1 3.3(4) .
C7 C8 C9 C10 -175.3(3) .
C8 C9 C10 N2 -175.9(3) .
C9 N1 C6 C1 178.9(3) .
C9 N1 C6 C5 -1.6(4) .
C10 N2 C11 C12 -124.6(2) .
C11 N2 C10 C9 -172.9(2) .
C11 C12 C13 C14 174.6(3) .
C11 C12 C17 O1 6.6(4) .
C11 C12 C17 C16 -172.2(2) .
C12 C13 C14 C15 -1.4(4) .
C13 C12 C17 O1 -177.3(2) .
C13 C12 C17 C16 3.9(4) .
C13 C14 C15 C16 1.9(4) .
C14 C15 C16 O2 -178.4(2) .
C14 C15 C16 C17 0.7(4) .
C15 C16 C17 O1 177.6(2) .
C15 C16 C17 C12 -3.6(4) .
C17 C12 C13 C14 -1.6(4) .
C18 O2 C16 C15 -12.2(4) .
C18 O2 C16 C17 168.7(2) .
