#------------------------------------------------------------------------------
#$Date: 2022-11-07 06:07:50 +0100 (Mon 07 de Nov de 2022) $
#$Revision: 278963 $
#$URL: svn://www.crystallography.net/cod/cif/7/13/08/7130849.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_7130849
loop_
_publ_author_name
'Khan, Samim'
'Naaz, Sanobar'
'Ekka, Akansha'
'Dutta, Basudeb'
'Roy, Sourav'
'Medishetty, Raghavender'
'Mir, Mohammad Hedayetullah'
_publ_section_title
;
 Photomechanical effect in Zn(II) and Cd(II) 1D coordination polymers:
 photosalient to non-salient behaviour.
;
_journal_issue                   86
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              12102
_journal_page_last               12105
_journal_paper_doi               10.1039/d2cc04135a
_journal_volume                  58
_journal_year                    2022
_chemical_formula_sum            'C25 H23 Cd N O4'
_chemical_formula_weight         513.80
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2022-06-09 deposited with the CCDC.	2022-10-03 downloaded from the CCDC.
;
_cell_angle_alpha                97.577(4)
_cell_angle_beta                 102.802(4)
_cell_angle_gamma                102.063(4)
_cell_formula_units_Z            2
_cell_length_a                   9.4781(16)
_cell_length_b                   9.8709(16)
_cell_length_c                   12.141(2)
_cell_measurement_reflns_used    9843
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      26.554
_cell_measurement_theta_min      2.114
_cell_volume                     1064.1(3)
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.994
_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  0.0524
_diffrn_reflns_av_unetI/netI     0.0290
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            31928
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.175
_diffrn_reflns_theta_min         2.488
_exptl_absorpt_coefficient_mu    1.058
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.604
_exptl_crystal_description       block
_exptl_crystal_F_000             520
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.702
_refine_diff_density_min         -0.559
_refine_diff_density_rms         0.069
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     280
_refine_ls_number_reflns         4715
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.056
_refine_ls_R_factor_all          0.0334
_refine_ls_R_factor_gt           0.0305
_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)+(0.0337P)²+0.8850P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0779
_refine_ls_wR_factor_ref         0.0803
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4396
_reflns_number_total             4715
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2cc04135a7.cif
_cod_data_source_block           Cd6chdc
_cod_depositor_comments
'Adding full bibliography for 7130848--7130849.cif.'
_cod_database_code               7130849
_shelx_shelxl_version_number     2018/3
_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.
;
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
Cd1 Cd 0.91864(2) 1.01964(2) 0.12829(2) 0.04151(8) Uani 1 1 d . . . . .
O2 O 0.8497(3) 0.8467(3) -0.1957(3) 0.0728(7) Uani 1 1 d . . . . .
O1 O 0.8861(3) 0.8420(3) -0.0129(2) 0.0860(9) Uani 1 1 d . . . . .
O3 O 0.2497(3) 0.8600(3) -0.0453(2) 0.0798(8) Uani 1 1 d . . . . .
N1 N 0.9388(3) 0.8951(3) 0.2740(2) 0.0509(5) Uani 1 1 d . . . . .
O4 O 0.2429(4) 0.8874(4) -0.2178(3) 0.0946(10) Uani 1 1 d . . . . .
C18 C 0.8122(3) 0.7964(3) -0.1151(3) 0.0451(6) Uani 1 1 d . . . . .
C25 C 0.2916(3) 0.8372(3) -0.1337(3) 0.0460(6) Uani 1 1 d . . . . .
C19 C 0.6840(3) 0.6675(3) -0.1436(3) 0.0444(6) Uani 1 1 d . . . . .
H19 H 0.726425 0.586109 -0.156233 0.053 Uiso 1 1 calc R U . . .
C24 C 0.3971(3) 0.7420(3) -0.1435(3) 0.0488(6) Uani 1 1 d . . . . .
H24 H 0.335685 0.644794 -0.164314 0.059 Uiso 1 1 calc R U . . .
C17 C 0.7366(4) 0.3708(3) 0.6560(2) 0.0488(6) Uani 1 1 d . . . . .
C12 C 0.7480(4) 0.2990(3) 0.7516(3) 0.0541(7) Uani 1 1 d . . . . .
C8 C 0.8545(3) 0.4889(3) 0.6586(2) 0.0495(6) Uani 1 1 d . . . . .
C5 C 0.9447(3) 0.7476(3) 0.4561(3) 0.0504(6) Uani 1 1 d . . . . .
C1 C 1.0606(3) 0.9187(4) 0.3597(3) 0.0555(7) Uani 1 1 d . . . . .
H1 H 1.144940 0.985513 0.357942 0.067 Uiso 1 1 calc R U . . .
C13 C 0.6330(5) 0.1806(4) 0.7485(4) 0.0755(11) Uani 1 1 d . . . . .
H13 H 0.638924 0.135098 0.811096 0.091 Uiso 1 1 calc R U . . .
C7 C 0.8469(4) 0.5690(4) 0.5639(3) 0.0573(7) Uani 1 1 d . . . . .
H7 H 0.758479 0.542890 0.505913 0.069 Uiso 1 1 calc R U . . .
C2 C 1.0680(4) 0.8488(4) 0.4512(3) 0.0582(7) Uani 1 1 d . . . . .
H2 H 1.155633 0.869539 0.509680 0.070 Uiso 1 1 calc R U . . .
C23 C 0.4743(3) 0.7658(4) -0.2394(3) 0.0586(8) Uani 1 1 d . . . . .
H23A H 0.399464 0.755838 -0.310878 0.070 Uiso 1 1 calc R U . . .
H23B H 0.536733 0.861269 -0.221719 0.070 Uiso 1 1 calc R U . . .
C6 C 0.9503(4) 0.6723(4) 0.5524(3) 0.0606(8) Uani 1 1 d . . . . .
H6 H 1.037144 0.701212 0.611965 0.073 Uiso 1 1 calc R U . . .
C22 C 0.5702(3) 0.6621(4) -0.2551(3) 0.0639(9) Uani 1 1 d . . . . .
H22A H 0.506408 0.567319 -0.281296 0.077 Uiso 1 1 calc R U . . .
H22B H 0.621696 0.684293 -0.313588 0.077 Uiso 1 1 calc R U . . .
C21 C 0.5120(4) 0.7519(5) -0.0316(3) 0.0678(10) Uani 1 1 d . . . . .
H21A H 0.461647 0.731615 0.027879 0.081 Uiso 1 1 calc R U . . .
H21B H 0.575411 0.846943 -0.007644 0.081 Uiso 1 1 calc R U . . .
C9 C 0.9753(4) 0.5271(4) 0.7526(3) 0.0590(8) Uani 1 1 d . . . . .
H9 H 1.053591 0.602834 0.754719 0.071 Uiso 1 1 calc R U . . .
C20 C 0.6079(4) 0.6470(5) -0.0471(4) 0.0810(13) Uani 1 1 d . . . . .
H20A H 0.683291 0.657842 0.024156 0.097 Uiso 1 1 calc R U . . .
H20B H 0.545216 0.551718 -0.063481 0.097 Uiso 1 1 calc R U . . .
C11 C 0.8738(4) 0.3452(4) 0.8456(3) 0.0638(9) Uani 1 1 d . . . . .
H11 H 0.880983 0.299364 0.908119 0.077 Uiso 1 1 calc R U . . .
C14 C 0.5149(6) 0.1325(4) 0.6565(4) 0.0930(14) Uani 1 1 d . . . . .
H14 H 0.441368 0.053075 0.655335 0.112 Uiso 1 1 calc R U . . .
C16 C 0.6087(4) 0.3187(4) 0.5629(3) 0.0663(9) Uani 1 1 d . . . . .
H16 H 0.596721 0.365219 0.500924 0.080 Uiso 1 1 calc R U . . .
C10 C 0.9846(4) 0.4561(4) 0.8454(3) 0.0676(9) Uani 1 1 d . . . . .
H10 H 1.068175 0.485753 0.907755 0.081 Uiso 1 1 calc R U . . .
C3 C 0.8199(4) 0.7992(5) 0.2798(3) 0.0791(12) Uani 1 1 d . . . . .
H3 H 0.732804 0.782202 0.221287 0.095 Uiso 1 1 calc R U . . .
C4 C 0.8189(4) 0.7243(4) 0.3668(3) 0.0774(11) Uani 1 1 d . . . . .
H4 H 0.733063 0.657592 0.365719 0.093 Uiso 1 1 calc R U . . .
C15 C 0.5025(6) 0.2021(5) 0.5620(4) 0.0896(13) Uani 1 1 d . . . . .
H15 H 0.420935 0.167870 0.498436 0.108 Uiso 1 1 calc R U . . .
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
_geom_angle_publ_flag
O1 Cd1 O2 115.74(11) . 2_775 ?
O1 Cd1 N1 97.08(11) . . ?
O2 Cd1 N1 93.55(9) 2_775 . ?
O1 Cd1 O3 101.44(10) . 2_675 ?
O2 Cd1 O3 113.33(10) 2_775 2_675 ?
N1 Cd1 O3 135.65(9) . 2_675 ?
O1 Cd1 O4 133.75(12) . 2_675 ?
O2 Cd1 O4 110.34(12) 2_775 2_675 ?
N1 Cd1 O4 83.66(10) . 2_675 ?
O3 Cd1 O4 54.71(9) 2_675 2_675 ?
O1 Cd1 C25 120.91(9) . 2_675 ?
O2 Cd1 C25 113.66(9) 2_775 2_675 ?
N1 Cd1 C25 110.21(9) . 2_675 ?
O3 Cd1 C25 27.38(9) 2_675 2_675 ?
O4 Cd1 C25 27.37(9) 2_675 2_675 ?
C18 O2 Cd1 107.7(2) . 2_775 ?
C18 O1 Cd1 139.7(2) . . ?
C25 O3 Cd1 92.90(19) . 2_675 ?
C1 N1 C3 116.8(3) . . ?
C1 N1 Cd1 123.7(2) . . ?
C3 N1 Cd1 119.4(2) . . ?
C25 O4 Cd1 92.3(2) . 2_675 ?
O2 C18 O1 121.8(3) . . ?
O2 C18 C19 118.2(3) . . ?
O1 C18 C19 119.7(3) . . ?
O4 C25 O3 119.9(3) . . ?
O4 C25 C24 118.8(3) . . ?
O3 C25 C24 121.2(3) . . ?
O4 C25 Cd1 60.30(16) . 2_675 ?
O3 C25 Cd1 59.72(15) . 2_675 ?
C24 C25 Cd1 173.74(18) . 2_675 ?
C18 C19 C20 114.1(3) . . ?
C18 C19 C22 112.3(3) . . ?
C20 C19 C22 110.6(3) . . ?
C18 C19 H19 106.4 . . ?
C20 C19 H19 106.4 . . ?
C22 C19 H19 106.4 . . ?
C21 C24 C25 113.6(3) . . ?
C21 C24 C23 110.1(2) . . ?
C25 C24 C23 112.3(2) . . ?
C21 C24 H24 106.8 . . ?
C25 C24 H24 106.8 . . ?
C23 C24 H24 106.8 . . ?
C16 C17 C8 123.5(3) . . ?
C16 C17 C12 117.5(3) . . ?
C8 C17 C12 119.0(3) . . ?
C11 C12 C13 120.9(3) . . ?
C11 C12 C17 119.8(3) . . ?
C13 C12 C17 119.2(3) . . ?
C9 C8 C17 118.1(3) . . ?
C9 C8 C7 120.6(3) . . ?
C17 C8 C7 121.3(3) . . ?
C4 C5 C2 116.3(3) . . ?
C4 C5 C6 122.8(3) . . ?
C2 C5 C6 120.9(3) . . ?
N1 C1 C2 123.1(3) . . ?
N1 C1 H1 118.5 . . ?
C2 C1 H1 118.5 . . ?
C14 C13 C12 121.2(4) . . ?
C14 C13 H13 119.4 . . ?
C12 C13 H13 119.4 . . ?
C6 C7 C8 127.3(3) . . ?
C6 C7 H7 116.4 . . ?
C8 C7 H7 116.4 . . ?
C1 C2 C5 120.0(3) . . ?
C1 C2 H2 120.0 . . ?
C5 C2 H2 120.0 . . ?
C22 C23 C24 112.0(3) . . ?
C22 C23 H23A 109.2 . . ?
C24 C23 H23A 109.2 . . ?
C22 C23 H23B 109.2 . . ?
C24 C23 H23B 109.2 . . ?
H23A C23 H23B 107.9 . . ?
C7 C6 C5 127.1(3) . . ?
C7 C6 H6 116.5 . . ?
C5 C6 H6 116.5 . . ?
C19 C22 C23 111.4(2) . . ?
C19 C22 H22A 109.3 . . ?
C23 C22 H22A 109.3 . . ?
C19 C22 H22B 109.3 . . ?
C23 C22 H22B 109.3 . . ?
H22A C22 H22B 108.0 . . ?
C24 C21 C20 110.3(3) . . ?
C24 C21 H21A 109.6 . . ?
C20 C21 H21A 109.6 . . ?
C24 C21 H21B 109.6 . . ?
C20 C21 H21B 109.6 . . ?
H21A C21 H21B 108.1 . . ?
C8 C9 C10 122.2(3) . . ?
C8 C9 H9 118.9 . . ?
C10 C9 H9 118.9 . . ?
C19 C20 C21 112.6(2) . . ?
C19 C20 H20A 109.1 . . ?
C21 C20 H20A 109.1 . . ?
C19 C20 H20B 109.1 . . ?
C21 C20 H20B 109.1 . . ?
H20A C20 H20B 107.8 . . ?
C10 C11 C12 120.0(3) . . ?
C10 C11 H11 120.0 . . ?
C12 C11 H11 120.0 . . ?
C13 C14 C15 120.1(4) . . ?
C13 C14 H14 119.9 . . ?
C15 C14 H14 119.9 . . ?
C15 C16 C17 121.4(3) . . ?
C15 C16 H16 119.3 . . ?
C17 C16 H16 119.3 . . ?
C11 C10 C9 120.8(3) . . ?
C11 C10 H10 119.6 . . ?
C9 C10 H10 119.6 . . ?
N1 C3 C4 123.7(3) . . ?
N1 C3 H3 118.2 . . ?
C4 C3 H3 118.2 . . ?
C3 C4 C5 120.1(3) . . ?
C3 C4 H4 119.9 . . ?
C5 C4 H4 119.9 . . ?
C16 C15 C14 120.5(4) . . ?
C16 C15 H15 119.7 . . ?
C14 C15 H15 119.7 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Cd1 O1 2.203(2) . ?
Cd1 O2 2.222(2) 2_775 ?
Cd1 N1 2.280(2) . ?
Cd1 O3 2.317(2) 2_675 ?
Cd1 O4 2.330(3) 2_675 ?
Cd1 C25 2.680(3) 2_675 ?
O2 C18 1.240(4) . ?
O1 C18 1.253(4) . ?
O3 C25 1.234(4) . ?
N1 C1 1.327(4) . ?
N1 C3 1.333(4) . ?
O4 C25 1.233(4) . ?
C18 C19 1.506(4) . ?
C25 C24 1.521(4) . ?
C19 C20 1.519(4) . ?
C19 C22 1.520(4) . ?
C19 H19 0.9800 . ?
C24 C21 1.518(5) . ?
C24 C23 1.525(4) . ?
C24 H24 0.9800 . ?
C17 C16 1.411(5) . ?
C17 C8 1.427(4) . ?
C17 C12 1.434(4) . ?
C12 C11 1.402(5) . ?
C12 C13 1.412(5) . ?
C8 C9 1.372(4) . ?
C8 C7 1.477(4) . ?
C5 C4 1.377(5) . ?
C5 C2 1.388(4) . ?
C5 C6 1.463(4) . ?
C1 C2 1.380(4) . ?
C1 H1 0.9300 . ?
C13 C14 1.344(6) . ?
C13 H13 0.9300 . ?
C7 C6 1.303(5) . ?
C7 H7 0.9300 . ?
C2 H2 0.9300 . ?
C23 C22 1.525(4) . ?
C23 H23A 0.9700 . ?
C23 H23B 0.9700 . ?
C6 H6 0.9300 . ?
C22 H22A 0.9700 . ?
C22 H22B 0.9700 . ?
C21 C20 1.534(5) . ?
C21 H21A 0.9700 . ?
C21 H21B 0.9700 . ?
C9 C10 1.400(4) . ?
C9 H9 0.9300 . ?
C20 H20A 0.9700 . ?
C20 H20B 0.9700 . ?
C11 C10 1.350(5) . ?
C11 H11 0.9300 . ?
C14 C15 1.409(6) . ?
C14 H14 0.9300 . ?
C16 C15 1.359(5) . ?
C16 H16 0.9300 . ?
C10 H10 0.9300 . ?
C3 C4 1.368(5) . ?
C3 H3 0.9300 . ?
C4 H4 0.9300 . ?
C15 H15 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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Cd1 O2 C18 O1 13.1(3) 2_775 . . . ?
Cd1 O2 C18 C19 -160.27(18) 2_775 . . . ?
Cd1 O1 C18 O2 79.1(5) . . . . ?
Cd1 O1 C18 C19 -107.6(4) . . . . ?
Cd1 O4 C25 O3 -4.2(4) 2_675 . . . ?
Cd1 O4 C25 C24 172.9(2) 2_675 . . . ?
Cd1 O3 C25 O4 4.2(4) 2_675 . . . ?
Cd1 O3 C25 C24 -172.8(2) 2_675 . . . ?
O2 C18 C19 C20 -157.5(3) . . . . ?
O1 C18 C19 C20 29.0(3) . . . . ?
O2 C18 C19 C22 -30.5(3) . . . . ?
O1 C18 C19 C22 155.9(3) . . . . ?
O4 C25 C24 C21 147.8(3) . . . . ?
O3 C25 C24 C21 -35.1(4) . . . . ?
O4 C25 C24 C23 22.0(4) . . . . ?
O3 C25 C24 C23 -161.0(3) . . . . ?
C16 C17 C12 C11 179.1(3) . . . . ?
C8 C17 C12 C11 -0.1(4) . . . . ?
C16 C17 C12 C13 0.4(4) . . . . ?
C8 C17 C12 C13 -178.8(3) . . . . ?
C16 C17 C8 C9 -178.2(3) . . . . ?
C12 C17 C8 C9 1.0(4) . . . . ?
C16 C17 C8 C7 2.5(5) . . . . ?
C12 C17 C8 C7 -178.4(3) . . . . ?
C3 N1 C1 C2 0.3(5) . . . . ?
Cd1 N1 C1 C2 175.6(3) . . . . ?
C11 C12 C13 C14 -177.3(4) . . . . ?
C17 C12 C13 C14 1.4(6) . . . . ?
C9 C8 C7 C6 5.4(5) . . . . ?
C17 C8 C7 C6 -175.2(3) . . . . ?
N1 C1 C2 C5 0.6(5) . . . . ?
C4 C5 C2 C1 -0.7(5) . . . . ?
C6 C5 C2 C1 180.0(3) . . . . ?
C21 C24 C23 C22 56.9(4) . . . . ?
C25 C24 C23 C22 -175.4(2) . . . . ?
C8 C7 C6 C5 177.3(3) . . . . ?
C4 C5 C6 C7 5.6(6) . . . . ?
C2 C5 C6 C7 -175.1(4) . . . . ?
C18 C19 C22 C23 -75.2(3) . . . . ?
C20 C19 C22 C23 53.6(4) . . . . ?
C24 C23 C22 C19 -55.7(4) . . . . ?
C25 C24 C21 C20 176.8(3) . . . . ?
C23 C24 C21 C20 -56.2(4) . . . . ?
C17 C8 C9 C10 -1.1(5) . . . . ?
C7 C8 C9 C10 178.2(3) . . . . ?
C18 C19 C20 C21 73.3(4) . . . . ?
C22 C19 C20 C21 -54.6(4) . . . . ?
C24 C21 C20 C19 56.3(4) . . . . ?
C13 C12 C11 C10 178.1(3) . . . . ?
C17 C12 C11 C10 -0.6(5) . . . . ?
C12 C13 C14 C15 -1.4(7) . . . . ?
C8 C17 C16 C15 177.0(4) . . . . ?
C12 C17 C16 C15 -2.2(5) . . . . ?
C12 C11 C10 C9 0.5(6) . . . . ?
C8 C9 C10 C11 0.4(6) . . . . ?
C1 N1 C3 C4 -1.1(6) . . . . ?
Cd1 N1 C3 C4 -176.6(4) . . . . ?
N1 C3 C4 C5 1.0(8) . . . . ?
C2 C5 C4 C3 -0.1(6) . . . . ?
C6 C5 C4 C3 179.3(4) . . . . ?
C17 C16 C15 C14 2.3(7) . . . . ?
C13 C14 C15 C16 -0.4(8) . . . . ?
