#------------------------------------------------------------------------------
#$Date: 2021-09-07 11:22:45 +0300 (Tue, 07 Sep 2021) $
#$Revision: 269015 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/45/1564572.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_1564572
loop_
_publ_author_name
'Lan, Hai-Ming'
'Yang, Ru-Xia'
'Yang, Li-Zhen'
'Zhu, Peng-Yin'
'Wang, Lu-Lu'
'Yu, Yu-Ming'
'Wang, Duo-Zhi'
_publ_section_title
;
 Lanthanide complexes based on the linear bifunctional ligand: Synthesis,
 structure regulation and magnetic properties
;
_journal_name_full               'Inorganica Chimica Acta'
_journal_page_first              119593
_journal_paper_doi               10.1016/j.ica.2020.119593
_journal_volume                  508
_journal_year                    2020
_chemical_formula_moiety         'C34 H30 N8 O8 Tb, 4(H2 O)'
_chemical_formula_sum            'C34 H38 N8 O12 Tb'
_chemical_formula_weight         909.64
_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'
_atom_sites_solution_hydrogens   mixed
_cell_angle_alpha                90
_cell_angle_beta                 111.285(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   19.2186(11)
_cell_length_b                   11.9541(7)
_cell_length_c                   17.4051(9)
_cell_measurement_reflns_used    9835
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      26.378
_cell_measurement_theta_min      2.610
_cell_volume                     3725.9(4)
_computing_cell_refinement       '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  'XL (Sheldrick, 2008)'
_diffrn_ambient_temperature      150.0
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0555
_diffrn_reflns_av_unetI/netI     0.0211
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            47930
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.442
_diffrn_reflns_theta_min         2.176
_exptl_absorpt_coefficient_mu    1.971
_exptl_absorpt_correction_T_max  0.0276
_exptl_absorpt_correction_T_min  0.0107
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0887 before and 0.0654 after correction.
The Ratio of minimum to maximum transmission is 0.3877.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.622
_exptl_crystal_description       block
_exptl_crystal_F_000             1836
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.28
_refine_diff_density_max         1.910
_refine_diff_density_min         -0.641
_refine_diff_density_rms         0.113
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.067
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     257
_refine_ls_number_reflns         3827
_refine_ls_number_restraints     89
_refine_ls_restrained_S_all      1.058
_refine_ls_R_factor_all          0.0384
_refine_ls_R_factor_gt           0.0332
_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)+(0.0340P)²+20.8780P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0786
_refine_ls_wR_factor_ref         0.0816
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3493
_reflns_number_total             3827
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            4.cif
_cod_data_source_block           222_sq
_cod_database_code               1564572
_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   0.608
_shelx_estimated_absorpt_t_min   0.562
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H) groups
 At 1.5 times of:
  All O(H,H) groups
2. Restrained distances
 H5B_$1-H3B_$2
 2.2 with sigma of 0.02
3. Rigid bond restraints
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C16, N4
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
4. Uiso/Uaniso restraints and constraints
N4 \\sim C16 \\sim C15: within 2A with sigma of 0.001 and sigma for terminal
atoms of 0.002
5.a Free rotating group:
 O5(H5A,H5B), O6(H6A,H6B)
5.b Rotating group:
 O4(H4A,H4B), O3(H3A,H3B)
5.c Aromatic/amide H refined with riding coordinates:
 N2(H2), C15(H15), C7(H7), C16(H16), C13(H13), C3(H3), C10(H10), C17(H17),
 C14(H14), C11(H11), C4(H4)
;
_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
_atom_site_disorder_assembly
_atom_site_disorder_group
Tb1 Tb 1.000000 0.05719(2) 0.250000 0.02665(9) Uani 1 2 d S TU P . .
O2 O 0.89509(15) 0.0153(2) 0.29098(18) 0.0368(6) Uani 1 1 d . U . . .
O4 O 1.04871(17) -0.0931(2) 0.33802(18) 0.0414(7) Uani 1 1 d . U . . .
H4A H 1.056940 -0.097423 0.391039 0.062 Uiso 1 1 d GR . . . .
H4B H 1.063032 -0.158347 0.325667 0.062 Uiso 1 1 d GR . . . .
O1 O 0.89245(16) 0.1760(2) 0.22937(19) 0.0419(7) Uani 1 1 d . U . . .
O5 O 0.84077(14) -0.1614(2) 0.46529(14) 0.0284(5) Uani 1 1 d . U . . .
H5A H 0.872788 -0.143376 0.442542 0.043 Uiso 1 1 d G . . . .
H5B H 0.823799 -0.097693 0.475073 0.043 Uiso 1 1 d DG . . . .
O6 O 0.6798(3) -0.1939(3) 0.4101(3) 0.0808(13) Uani 1 1 d . U . . .
H6A H 0.723577 -0.184372 0.406981 0.121 Uiso 1 1 d G . . . .
H6B H 0.658009 -0.243074 0.372107 0.121 Uiso 1 1 d G . . . .
N2 N 0.64261(17) 0.0248(3) 0.34328(19) 0.0306(7) Uani 1 1 d . U . . .
H2 H 0.646429 -0.046222 0.357596 0.037 Uiso 1 1 calc R . . . .
N3 N 0.34341(18) -0.0515(3) 0.4284(2) 0.0379(8) Uani 1 1 d . U . . .
N1 N 0.59652(17) 0.1983(3) 0.31807(18) 0.0301(7) Uani 1 1 d . U . . .
C1 C 0.8639(2) 0.1077(3) 0.2662(2) 0.0314(8) Uani 1 1 d . U . . .
N4 N 0.2746(2) -0.1600(4) 0.4734(2) 0.0473(7) Uani 1 1 d . U . . .
C6 C 0.6919(2) 0.0844(3) 0.3179(2) 0.0292(7) Uani 1 1 d . U . . .
C15 C 0.2826(2) 0.0114(5) 0.4270(3) 0.0469(7) Uani 1 1 d . U . . .
H15 H 0.272176 0.086977 0.409927 0.056 Uiso 1 1 calc R . . . .
C2 C 0.7930(2) 0.1369(3) 0.2784(2) 0.0295(7) Uani 1 1 d . U . . .
C7 C 0.7580(2) 0.0548(3) 0.3080(2) 0.0296(7) Uani 1 1 d . U . . .
H7 H 0.778401 -0.018225 0.320782 0.036 Uiso 1 1 calc R . . . .
C12 C 0.4041(2) -0.0134(4) 0.4055(2) 0.0353(8) Uani 1 1 d . U . . .
C16 C 0.2407(2) -0.0573(5) 0.4552(3) 0.0475(7) Uani 1 1 d . U . . .
H16 H 0.195182 -0.037272 0.461348 0.057 Uiso 1 1 calc R . . . .
C5 C 0.6620(2) 0.1929(3) 0.3016(2) 0.0292(7) Uani 1 1 d . U . . .
C9 C 0.5234(2) 0.0580(3) 0.3634(2) 0.0312(7) Uani 1 1 d . U . . .
C13 C 0.4443(2) -0.0912(4) 0.3791(3) 0.0385(9) Uani 1 1 d . U . . .
H13 H 0.430822 -0.168058 0.374683 0.046 Uiso 1 1 calc R . . . .
C8 C 0.5871(2) 0.0960(3) 0.3421(2) 0.0300(7) Uani 1 1 d . U . . .
C3 C 0.7628(2) 0.2459(3) 0.2603(2) 0.0322(8) Uani 1 1 d . U . . .
H3 H 0.787871 0.300060 0.239850 0.039 Uiso 1 1 calc R . . . .
C10 C 0.4808(2) 0.1349(4) 0.3880(2) 0.0357(8) Uani 1 1 d . U . . .
H10 H 0.492342 0.212373 0.389742 0.043 Uiso 1 1 calc R . . . .
C17 C 0.3364(2) -0.1546(4) 0.4567(2) 0.0414(10) Uani 1 1 d . U . . .
H17 H 0.370800 -0.214322 0.463620 0.050 Uiso 1 1 calc R . . . .
O3 O 1.0292(2) 0.1437(3) 0.38209(19) 0.0509(8) Uani 1 1 d . U . . .
H3A H 1.026622 0.218785 0.377356 0.076 Uiso 1 1 d GR . . . .
H3B H 1.077312 0.131665 0.414156 0.076 Uiso 1 1 d DGR . . . .
C14 C 0.5046(2) -0.0554(4) 0.3592(3) 0.0361(8) Uani 1 1 d . U . . .
H14 H 0.533266 -0.108438 0.342699 0.043 Uiso 1 1 calc R . . . .
C11 C 0.4218(2) 0.0992(4) 0.4098(3) 0.0382(9) Uani 1 1 d . U . . .
H11 H 0.393772 0.151796 0.427595 0.046 Uiso 1 1 calc R . . . .
C4 C 0.6975(2) 0.2755(3) 0.2717(2) 0.0324(8) Uani 1 1 d . U . . .
H4 H 0.677481 0.348899 0.259706 0.039 Uiso 1 1 calc R . . . .
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'
Tb Tb -0.1723 4.1537 '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
O2 Tb1 O2 156.13(13) . 2_755
O2 Tb1 O1 146.45(10) . 2_755
O2 Tb1 O1 53.76(9) 2_755 2_755
O2 Tb1 O1 146.45(10) 2_755 .
O2 Tb1 O1 53.76(9) . .
O2 Tb1 C1 26.65(10) . .
O2 Tb1 C1 26.65(10) 2_755 2_755
O2 Tb1 C1 169.47(11) . 2_755
O2 Tb1 C1 169.47(11) 2_755 .
O4 Tb1 O2 81.68(10) 2_755 .
O4 Tb1 O2 79.94(10) 2_755 2_755
O4 Tb1 O2 81.67(10) . 2_755
O4 Tb1 O2 79.94(10) . .
O4 Tb1 O4 78.86(16) 2_755 .
O4 Tb1 O1 131.87(10) . .
O4 Tb1 O1 103.72(11) . 2_755
O4 Tb1 O1 103.72(11) 2_755 .
O4 Tb1 O1 131.87(10) 2_755 2_755
O4 Tb1 C1 105.54(11) . .
O4 Tb1 C1 93.77(11) 2_755 .
O4 Tb1 C1 93.77(11) . 2_755
O4 Tb1 C1 105.54(11) 2_755 2_755
O4 Tb1 O3 78.64(11) . .
O4 Tb1 O3 149.77(10) 2_755 .
O4 Tb1 O3 78.64(11) 2_755 2_755
O4 Tb1 O3 149.77(10) . 2_755
O1 Tb1 O1 108.31(14) . 2_755
O1 Tb1 C1 129.55(10) 2_755 .
O1 Tb1 C1 27.15(10) 2_755 2_755
O1 Tb1 C1 27.15(10) . .
O1 Tb1 C1 129.55(10) . 2_755
C1 Tb1 C1 155.05(16) 2_755 .
O3 Tb1 O2 116.24(11) 2_755 .
O3 Tb1 O2 74.72(11) 2_755 2_755
O3 Tb1 O2 116.24(11) . 2_755
O3 Tb1 O2 74.72(11) . .
O3 Tb1 O1 77.25(12) 2_755 2_755
O3 Tb1 O1 77.25(12) . .
O3 Tb1 O1 73.44(10) 2_755 .
O3 Tb1 O1 73.44(10) . 2_755
O3 Tb1 C1 73.24(12) 2_755 2_755
O3 Tb1 C1 95.85(11) . 2_755
O3 Tb1 C1 95.85(11) 2_755 .
O3 Tb1 C1 73.24(12) . .
O3 Tb1 O3 128.84(16) 2_755 .
C1 O2 Tb1 93.5(2) . .
Tb1 O4 H4A 127.8 . .
Tb1 O4 H4B 127.7 . .
H4A O4 H4B 104.5 . .
C1 O1 Tb1 92.9(2) . .
H5A O5 H5B 104.4 . .
H6A O6 H6B 104.5 . .
C6 N2 H2 126.3 . .
C8 N2 H2 126.3 . .
C8 N2 C6 107.3(3) . .
C15 N3 C12 126.1(4) . .
C17 N3 C15 107.8(4) . .
C17 N3 C12 126.0(4) . .
C8 N1 C5 105.0(3) . .
O2 C1 Tb1 59.86(19) . .
O2 C1 O1 119.7(3) . .
O2 C1 C2 120.1(3) . .
O1 C1 Tb1 60.00(19) . .
O1 C1 C2 120.2(3) . .
C2 C1 Tb1 177.5(3) . .
C17 N4 C16 107.2(4) . .
N2 C6 C7 132.4(4) . .
N2 C6 C5 105.3(3) . .
C7 C6 C5 122.3(3) . .
N3 C15 H15 127.1 . .
C16 C15 N3 105.9(5) . .
C16 C15 H15 127.1 . .
C7 C2 C1 118.5(3) . .
C7 C2 C3 121.3(3) . .
C3 C2 C1 120.3(3) . .
C6 C7 H7 121.5 . .
C2 C7 C6 117.0(3) . .
C2 C7 H7 121.5 . .
C13 C12 N3 119.0(4) . .
C11 C12 N3 120.1(4) . .
C11 C12 C13 120.9(4) . .
N4 C16 H16 125.4 . .
C15 C16 N4 109.2(4) . .
C15 C16 H16 125.4 . .
N1 C5 C6 109.6(3) . .
N1 C5 C4 129.9(3) . .
C4 C5 C6 120.5(3) . .
C10 C9 C8 120.4(4) . .
C10 C9 C14 119.1(3) . .
C14 C9 C8 120.5(4) . .
C12 C13 H13 120.3 . .
C12 C13 C14 119.3(4) . .
C14 C13 H13 120.3 . .
N2 C8 C9 121.5(3) . .
N1 C8 N2 112.7(3) . .
N1 C8 C9 125.8(3) . .
C2 C3 H3 119.2 . .
C4 C3 C2 121.5(4) . .
C4 C3 H3 119.2 . .
C9 C10 H10 119.7 . .
C11 C10 C9 120.6(4) . .
C11 C10 H10 119.7 . .
N3 C17 H17 125.1 . .
N4 C17 N3 109.9(4) . .
N4 C17 H17 125.1 . .
Tb1 O3 H3A 110.9 . .
Tb1 O3 H3B 110.8 . .
H3A O3 H3B 103.0 . .
C9 C14 H14 119.8 . .
C13 C14 C9 120.5(4) . .
C13 C14 H14 119.8 . .
C12 C11 C10 119.6(4) . .
C12 C11 H11 120.2 . .
C10 C11 H11 120.2 . .
C5 C4 H4 121.3 . .
C3 C4 C5 117.4(4) . .
C3 C4 H4 121.3 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Tb1 O2 2.423(3) 2_755
Tb1 O2 2.423(3) .
Tb1 O4 2.326(3) .
Tb1 O4 2.326(3) 2_755
Tb1 O1 2.425(3) 2_755
Tb1 O1 2.425(3) .
Tb1 C1 2.796(4) 2_755
Tb1 C1 2.796(4) .
Tb1 O3 2.394(3) .
Tb1 O3 2.394(3) 2_755
O2 C1 1.256(5) .
O4 H4A 0.8794 .
O4 H4B 0.8797 .
O1 C1 1.277(5) .
O5 H5A 0.8712 .
O5 H5B 0.8695 .
O6 H6A 0.8702 .
O6 H6B 0.8700 .
N2 H2 0.8800 .
N2 C6 1.379(5) .
N2 C8 1.359(5) .
N3 C15 1.383(6) .
N3 C12 1.436(5) .
N3 C17 1.352(6) .
N1 C5 1.390(4) .
N1 C8 1.326(5) .
C1 C2 1.495(5) .
N4 C16 1.372(7) .
N4 C17 1.323(5) .
C6 C7 1.390(5) .
C6 C5 1.405(5) .
C15 H15 0.9500 .
C15 C16 1.359(6) .
C2 C7 1.388(5) .
C2 C3 1.415(5) .
C7 H7 0.9500 .
C12 C13 1.390(6) .
C12 C11 1.384(6) .
C16 H16 0.9500 .
C5 C4 1.403(5) .
C9 C8 1.474(5) .
C9 C10 1.397(6) .
C9 C14 1.398(6) .
C13 H13 0.9500 .
C13 C14 1.392(5) .
C3 H3 0.9500 .
C3 C4 1.386(5) .
C10 H10 0.9500 .
C10 C11 1.387(5) .
C17 H17 0.9500 .
O3 H3A 0.9014 .
O3 H3B 0.9016 .
C14 H14 0.9500 .
C11 H11 0.9500 .
C4 H4 0.9500 .
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
Tb1 O2 C1 O1 3.9(4) . . . .
Tb1 O2 C1 C2 -177.1(3) . . . .
Tb1 O1 C1 O2 -3.9(4) . . . .
Tb1 O1 C1 C2 177.1(3) . . . .
O2 C1 C2 C7 -7.9(6) . . . .
O2 C1 C2 C3 171.9(4) . . . .
O1 C1 C2 C7 171.0(4) . . . .
O1 C1 C2 C3 -9.2(6) . . . .
N2 C6 C7 C2 178.2(4) . . . .
N2 C6 C5 N1 0.9(4) . . . .
N2 C6 C5 C4 -178.0(3) . . . .
N3 C15 C16 N4 -0.1(5) . . . .
N3 C12 C13 C14 -178.0(4) . . . .
N3 C12 C11 C10 179.6(4) . . . .
N1 C5 C4 C3 -179.5(4) . . . .
C1 C2 C7 C6 -179.4(3) . . . .
C1 C2 C3 C4 -179.5(4) . . . .
C6 N2 C8 N1 -0.3(4) . . . .
C6 N2 C8 C9 178.0(3) . . . .
C6 C5 C4 C3 -0.8(6) . . . .
C15 N3 C12 C13 -155.1(4) . . . .
C15 N3 C12 C11 24.9(6) . . . .
C15 N3 C17 N4 -0.1(5) . . . .
C2 C3 C4 C5 -0.3(6) . . . .
C7 C6 C5 N1 -179.1(3) . . . .
C7 C6 C5 C4 2.0(6) . . . .
C7 C2 C3 C4 0.4(6) . . . .
C12 N3 C15 C16 -178.6(4) . . . .
C12 N3 C17 N4 178.7(4) . . . .
C12 C13 C14 C9 -1.8(6) . . . .
C16 N4 C17 N3 0.0(5) . . . .
C5 N1 C8 N2 0.8(4) . . . .
C5 N1 C8 C9 -177.4(3) . . . .
C5 C6 C7 C2 -1.9(5) . . . .
C9 C10 C11 C12 -1.4(6) . . . .
C13 C12 C11 C10 -0.4(6) . . . .
C8 N2 C6 C7 179.6(4) . . . .
C8 N2 C6 C5 -0.4(4) . . . .
C8 N1 C5 C6 -1.0(4) . . . .
C8 N1 C5 C4 177.8(4) . . . .
C8 C9 C10 C11 -178.6(4) . . . .
C8 C9 C14 C13 -179.8(4) . . . .
C3 C2 C7 C6 0.7(5) . . . .
C10 C9 C8 N2 159.0(4) . . . .
C10 C9 C8 N1 -22.9(6) . . . .
C10 C9 C14 C13 0.1(6) . . . .
C17 N3 C15 C16 0.1(5) . . . .
C17 N3 C12 C13 26.4(6) . . . .
C17 N3 C12 C11 -153.6(4) . . . .
C17 N4 C16 C15 0.1(5) . . . .
C14 C9 C8 N2 -21.1(6) . . . .
C14 C9 C8 N1 157.0(4) . . . .
C14 C9 C10 C11 1.5(6) . . . .
C11 C12 C13 C14 2.0(6) . . . .
