#------------------------------------------------------------------------------
#$Date: 2020-06-05 13:54:29 +0300 (Fri, 05 Jun 2020) $
#$Revision: 252810 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/41/7704162.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_7704162
loop_
_publ_author_name
'Xu, Hao'
'Zeng, Xianghua'
'Pan, Wei'
'Zhang, Junyong'
'Cao, Yangzheng'
'Guo, Haiyang'
'Xie, Jingli'
_publ_section_title
;
 Structural diversity of metal-organic frameworks based on a chalcone
 dicarboxylic acid ligand.
;
_journal_issue                   18
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5783
_journal_page_last               5786
_journal_paper_doi               10.1039/d0dt00654h
_journal_volume                  49
_journal_year                    2020
_chemical_formula_moiety         'C22 H18 Cd O6'
_chemical_formula_sum            'C22 H18 Cd O6'
_chemical_formula_weight         490.76
_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   mixed
_atom_sites_solution_primary     dual
_audit_creation_date             2020-03-17
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2020-03-19 deposited with the CCDC.	2020-04-22 downloaded from the CCDC.
;
_cell_angle_alpha                107.300(6)
_cell_angle_beta                 99.607(5)
_cell_angle_gamma                100.199(5)
_cell_formula_units_Z            2
_cell_length_a                   5.9985(3)
_cell_length_b                   11.6150(9)
_cell_length_c                   14.3679(9)
_cell_measurement_reflns_used    2593
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      72.1270
_cell_measurement_theta_min      4.0580
_cell_volume                     914.63(11)
_computing_cell_refinement       'CrysAlisPro 1.171.39.3a (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.39.3a (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.39.3a (Rigaku OD, 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(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.0802
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.962
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     18.00 103.00   1.00    1.50    --   36.58  38.00 -30.00   85
  2  ω     52.00  78.00   1.00    1.50    --   36.58  77.00-150.00   26
  3  ω     44.00  98.00   1.00    1.50    --   36.58  57.00-180.00   54
  4  ω     48.00  75.00   1.00    7.50    --  108.00 -30.00 -90.00   27
  5  ω     42.00  88.00   1.00    7.50    --  108.00 -30.00 -60.00   46
  6  ω     90.00 170.00   1.00    7.50    --  108.00  30.00 -60.00   80
  7  ω    102.00 143.00   1.00    7.50    --  108.00 111.00  30.00   41
  8  ω     84.00 126.00   1.00    7.50    --  108.00 178.00 120.00   42
  9  ω     82.00 108.00   1.00    1.50    --   36.58 178.00  30.00   26
 10  ω     60.00 104.00   1.00    1.50    --   36.58 178.00-150.00   44
 11  ω     88.00 163.00   1.00    7.50    --  108.00  30.00-150.00   75
 12  ω     81.00 107.00   1.00    7.50    --  108.00 -95.00-180.00   26
 13  ω     40.00 108.00   1.00    7.50    --  108.00 -95.00-120.00   68
 14  ω     52.00 105.00   1.00    7.50    --  108.00 -95.00   0.00   53
 15  ω     58.00  91.00   1.00    7.50    --  108.00 -30.00  30.00   33
 16  ω     44.00 109.00   1.00    7.50    --  108.00 -95.00  90.00   65
 17  ω     43.00 125.00   1.00    7.50    --  108.00 -61.00 120.00   82
 18  ω     39.00  70.00   1.00    7.50    --  108.00 -30.00  90.00   31
 19  ω     38.00  89.00   1.00    7.50    --  108.00 -30.00   0.00   51
 20  ω     40.00  97.00   1.00    7.50    --  108.00 -45.00-120.00   57
 21  ω     37.00  76.00   1.00    1.50    --   36.58 -99.00-180.00   39
 22  ω      2.00  55.00   1.00    1.50    --   36.58 -38.00 -60.00   53
 23  ω     21.00  75.00   1.00    1.50    --   36.58 -99.00  30.00   54
 24  ω     -9.00  35.00   1.00    1.50    --   36.58 -77.00 120.00   44
 25  ω    -33.00  52.00   1.00    1.50    --   36.58 -38.00  30.00   85
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0303697000
_diffrn_orient_matrix_UB_12      0.0995200000
_diffrn_orient_matrix_UB_13      -0.0507892000
_diffrn_orient_matrix_UB_21      -0.0257479000
_diffrn_orient_matrix_UB_22      0.0974626000
_diffrn_orient_matrix_UB_23      0.0947222000
_diffrn_orient_matrix_UB_31      0.2654048000
_diffrn_orient_matrix_UB_32      0.0329208000
_diffrn_orient_matrix_UB_33      0.0422888000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0335
_diffrn_reflns_av_unetI/netI     0.0506
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.962
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -5
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            5724
_diffrn_reflns_point_group_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.962
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         72.319
_diffrn_reflns_theta_min         4.107
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    9.909
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.63285
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.3a (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.782
_exptl_crystal_description       block
_exptl_crystal_F_000             492
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.774
_refine_diff_density_min         -0.671
_refine_diff_density_rms         0.094
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     267
_refine_ls_number_reflns         3478
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.033
_refine_ls_R_factor_all          0.0365
_refine_ls_R_factor_gt           0.0321
_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)+(0.0413P)²]
 where P=(Fo²+2Fc²)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0774
_refine_ls_wR_factor_ref         0.0814
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3187
_reflns_number_total             3478
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0dt00654h2.cif
_cod_data_source_block           2
_cod_depositor_comments
'Adding full bibliography for 7704160--7704162.cif.'
_cod_original_cell_volume        914.62(11)
_cod_database_code               7704162
_shelxl_version_number           2013-2
_chemical_oxdiff_formula         'Cd C H O N'
_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.
;
_reflns_odcompleteness_completeness 99.36
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_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 O(H) groups
2.a Rotating group:
 O1W(H1WA)
2.b Secondary CH2 refined with riding coordinates:
 C10(H10A,H10B), C11(H11A,H11B), C12(H12A,H12B)
2.c Aromatic/amide H refined with riding coordinates:
 C7(H7), C6(H6), C4(H4), C3(H3), C20(H20), C8(H8), C18(H18), C15(H15),
 C21(H21), C17(H17)
;
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.399
_oxdiff_exptl_absorpt_empirical_full_min 0.770
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 0.27012(4) 0.92260(2) -0.13243(2) 0.02875(9) Uani 1 1 d . . . . .
O4 O 0.5638(5) 0.0236(3) 0.80275(19) 0.0360(5) Uani 1 1 d . . . . .
O5 O 0.7013(4) 0.2659(2) 0.26216(18) 0.0327(5) Uani 1 1 d . . . . .
O1 O 0.2450(5) 0.7926(3) -0.0476(2) 0.0411(6) Uani 1 1 d . . . . .
O3 O 0.1894(5) -0.0073(3) 0.7376(2) 0.0383(6) Uani 1 1 d . . . . .
O2 O 0.6186(5) 0.8886(2) -0.0022(2) 0.0387(6) Uani 1 1 d . . . . .
O1W O -0.1205(5) 0.8949(3) -0.1454(3) 0.0465(7) Uani 1 1 d . . . . .
H1WA H -0.1702 0.9519 -0.1651 0.070 Uiso 1 1 d GR . . . .
C5 C 0.5595(6) 0.5516(3) 0.1568(3) 0.0303(7) Uani 1 1 d . . . . .
C2 C 0.4921(6) 0.7199(3) 0.0557(2) 0.0287(6) Uani 1 1 d . . . . .
C7 C 0.7157(6) 0.7224(3) 0.1031(3) 0.0342(7) Uani 1 1 d . . . . .
H7 H 0.8428 0.7803 0.1018 0.041 Uiso 1 1 calc R . . . .
C9 C 0.4681(6) 0.4094(3) 0.2554(2) 0.0284(6) Uani 1 1 d . . . . .
C14 C 0.5540(6) 0.3161(3) 0.2958(2) 0.0265(6) Uani 1 1 d . . . . .
C19 C 0.4535(6) 0.0948(3) 0.6658(3) 0.0297(7) Uani 1 1 d . . . . .
C6 C 0.7492(6) 0.6384(3) 0.1524(3) 0.0342(7) Uani 1 1 d . . . . .
H6 H 0.8995 0.6396 0.1830 0.041 Uiso 1 1 calc R . . . .
C1 C 0.4488(7) 0.8061(3) -0.0011(3) 0.0330(7) Uani 1 1 d . . . . .
C4 C 0.3367(6) 0.5498(3) 0.1083(3) 0.0344(7) Uani 1 1 d . . . . .
H4 H 0.2091 0.4921 0.1094 0.041 Uiso 1 1 calc R . . . .
C13 C 0.4631(6) 0.2881(3) 0.3795(2) 0.0282(6) Uani 1 1 d . . . . .
C3 C 0.3029(6) 0.6328(4) 0.0584(3) 0.0349(7) Uani 1 1 d . . . . .
H3 H 0.1530 0.6305 0.0266 0.042 Uiso 1 1 calc R . . . .
C20 C 0.6814(7) 0.1467(4) 0.6655(3) 0.0373(8) Uani 1 1 d . . . . .
H20 H 0.8051 0.1486 0.7149 0.045 Uiso 1 1 calc R . . . .
C8 C 0.6030(6) 0.4612(3) 0.2064(3) 0.0314(7) Uani 1 1 d . . . . .
H8 H 0.7421 0.4371 0.2033 0.038 Uiso 1 1 calc R . . . .
C22 C 0.4002(7) 0.0334(3) 0.7396(3) 0.0317(7) Uani 1 1 d . . . . .
C16 C 0.5404(6) 0.1936(3) 0.5154(3) 0.0304(7) Uani 1 1 d . . . . .
C10 C 0.2448(6) 0.4413(3) 0.2774(3) 0.0336(7) Uani 1 1 d . . . . .
H10A H 0.1130 0.3788 0.2298 0.040 Uiso 1 1 calc R . . . .
H10B H 0.2379 0.5207 0.2694 0.040 Uiso 1 1 calc R . . . .
C18 C 0.2720(7) 0.0941(4) 0.5918(3) 0.0378(8) Uani 1 1 d . . . . .
H18 H 0.1195 0.0607 0.5923 0.045 Uiso 1 1 calc R . . . .
C11 C 0.2286(7) 0.4479(4) 0.3832(3) 0.0360(8) Uani 1 1 d . . . . .
H11A H 0.0822 0.4668 0.3945 0.043 Uiso 1 1 calc R . . . .
H11B H 0.3541 0.5145 0.4310 0.043 Uiso 1 1 calc R . . . .
C15 C 0.5915(6) 0.2358(3) 0.4325(3) 0.0311(7) Uani 1 1 d . . . . .
H15 H 0.7305 0.2247 0.4148 0.037 Uiso 1 1 calc R . . . .
C21 C 0.7229(6) 0.1956(4) 0.5910(3) 0.0367(8) Uani 1 1 d . . . . .
H21 H 0.8752 0.2305 0.5914 0.044 Uiso 1 1 calc R . . . .
C12 C 0.2441(6) 0.3260(3) 0.4000(3) 0.0344(7) Uani 1 1 d . . . . .
H12A H 0.2392 0.3344 0.4688 0.041 Uiso 1 1 calc R . . . .
H12B H 0.1101 0.2612 0.3565 0.041 Uiso 1 1 calc R . . . .
C17 C 0.3134(7) 0.1423(4) 0.5172(3) 0.0385(8) Uani 1 1 d . . . . .
H17 H 0.1890 0.1403 0.4680 0.046 Uiso 1 1 calc R . . . .
H1WB H -0.187(11) 0.891(6) -0.114(5) 0.07(2) Uiso 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 0.0181 0.0091 '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 0.1185 4.6533 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 '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
O4 Cd1 O5 82.92(9) 1_564 2_665 ?
O4 Cd1 C22 28.18(10) 1_564 1_564 ?
O5 Cd1 C22 82.91(9) 2_665 1_564 ?
O1 Cd1 O4 137.10(10) . 1_564 ?
O1 Cd1 O5 80.80(9) . 2_665 ?
O1 Cd1 O3 157.78(11) . 1_564 ?
O1 Cd1 O2 99.25(10) . 2_675 ?
O1 Cd1 O1W 84.50(11) . . ?
O1 Cd1 C22 160.12(11) . 1_564 ?
O3 Cd1 O4 56.17(9) 1_564 1_564 ?
O3 Cd1 O5 84.47(9) 1_564 2_665 ?
O3 Cd1 O2 100.19(10) 1_564 2_675 ?
O3 Cd1 O1W 82.73(10) 1_564 . ?
O3 Cd1 C22 27.99(11) 1_564 1_564 ?
O2 Cd1 O4 83.98(9) 2_675 1_564 ?
O2 Cd1 O5 160.40(10) 2_675 2_665 ?
O2 Cd1 C22 92.32(9) 2_675 1_564 ?
O1W Cd1 O4 138.00(10) . 1_564 ?
O1W Cd1 O5 103.07(11) . 2_665 ?
O1W Cd1 O2 96.42(12) . 2_675 ?
O1W Cd1 C22 110.35(11) . 1_564 ?
C22 O4 Cd1 87.7(2) . 1_546 ?
C14 O5 Cd1 140.4(2) . 2_665 ?
C1 O1 Cd1 105.5(2) . . ?
C22 O3 Cd1 94.6(2) . 1_546 ?
C1 O2 Cd1 117.3(2) . 2_675 ?
Cd1 O1W H1WA 110.2 . . ?
Cd1 O1W H1WB 134(6) . . ?
H1WA O1W H1WB 98.4 . . ?
C6 C5 C8 119.2(3) . . ?
C4 C5 C6 118.3(3) . . ?
C4 C5 C8 122.3(3) . . ?
C7 C2 C1 121.7(3) . . ?
C7 C2 C3 119.5(3) . . ?
C3 C2 C1 118.8(3) . . ?
C2 C7 H7 120.0 . . ?
C6 C7 C2 120.0(3) . . ?
C6 C7 H7 120.0 . . ?
C14 C9 C10 117.8(3) . . ?
C8 C9 C14 116.5(3) . . ?
C8 C9 C10 125.6(3) . . ?
O5 C14 C9 120.3(3) . . ?
O5 C14 C13 120.7(3) . . ?
C13 C14 C9 119.0(3) . . ?
C20 C19 C22 121.9(3) . . ?
C18 C19 C20 119.1(3) . . ?
C18 C19 C22 118.9(3) . . ?
C5 C6 H6 119.5 . . ?
C7 C6 C5 120.9(3) . . ?
C7 C6 H6 119.5 . . ?
O1 C1 O2 122.2(3) . . ?
O1 C1 C2 118.1(3) . . ?
O2 C1 C2 119.7(3) . . ?
C5 C4 H4 119.6 . . ?
C3 C4 C5 120.9(3) . . ?
C3 C4 H4 119.6 . . ?
C14 C13 C12 118.0(3) . . ?
C15 C13 C14 116.3(3) . . ?
C15 C13 C12 125.7(3) . . ?
C2 C3 H3 119.8 . . ?
C4 C3 C2 120.4(3) . . ?
C4 C3 H3 119.8 . . ?
C19 C20 H20 120.2 . . ?
C21 C20 C19 119.7(3) . . ?
C21 C20 H20 120.2 . . ?
C5 C8 H8 115.9 . . ?
C9 C8 C5 128.2(3) . . ?
C9 C8 H8 115.9 . . ?
O4 C22 Cd1 64.09(18) . 1_546 ?
O4 C22 C19 120.2(3) . . ?
O3 C22 Cd1 57.40(18) . 1_546 ?
O3 C22 O4 121.5(3) . . ?
O3 C22 C19 118.3(3) . . ?
C19 C22 Cd1 175.6(3) . 1_546 ?
C21 C16 C15 120.0(3) . . ?
C17 C16 C15 121.6(3) . . ?
C17 C16 C21 118.1(3) . . ?
C9 C10 H10A 109.4 . . ?
C9 C10 H10B 109.4 . . ?
C9 C10 C11 111.4(3) . . ?
H10A C10 H10B 108.0 . . ?
C11 C10 H10A 109.4 . . ?
C11 C10 H10B 109.4 . . ?
C19 C18 H18 119.4 . . ?
C19 C18 C17 121.2(3) . . ?
C17 C18 H18 119.4 . . ?
C10 C11 H11A 109.4 . . ?
C10 C11 H11B 109.4 . . ?
C10 C11 C12 111.3(3) . . ?
H11A C11 H11B 108.0 . . ?
C12 C11 H11A 109.4 . . ?
C12 C11 H11B 109.4 . . ?
C13 C15 C16 128.1(3) . . ?
C13 C15 H15 116.0 . . ?
C16 C15 H15 116.0 . . ?
C20 C21 C16 121.4(3) . . ?
C20 C21 H21 119.3 . . ?
C16 C21 H21 119.3 . . ?
C13 C12 C11 112.3(3) . . ?
C13 C12 H12A 109.1 . . ?
C13 C12 H12B 109.1 . . ?
C11 C12 H12A 109.1 . . ?
C11 C12 H12B 109.1 . . ?
H12A C12 H12B 107.9 . . ?
C16 C17 H17 119.8 . . ?
C18 C17 C16 120.4(3) . . ?
C18 C17 H17 119.8 . . ?
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 O4 2.411(3) 1_564 ?
Cd1 O5 2.472(2) 2_665 ?
Cd1 O1 2.204(3) . ?
Cd1 O3 2.264(3) 1_564 ?
Cd1 O2 2.350(3) 2_675 ?
Cd1 O1W 2.276(3) . ?
Cd1 C22 2.678(3) 1_564 ?
O4 Cd1 2.411(3) 1_546 ?
O4 C22 1.266(5) . ?
O5 Cd1 2.472(2) 2_665 ?
O5 C14 1.229(4) . ?
O1 C1 1.251(5) . ?
O3 Cd1 2.264(3) 1_546 ?
O3 C22 1.261(5) . ?
O2 Cd1 2.350(3) 2_675 ?
O2 C1 1.274(5) . ?
O1W H1WA 0.8724 . ?
O1W H1WB 0.66(6) . ?
C5 C6 1.404(5) . ?
C5 C4 1.394(5) . ?
C5 C8 1.469(5) . ?
C2 C7 1.391(5) . ?
C2 C1 1.497(4) . ?
C2 C3 1.395(5) . ?
C7 H7 0.9300 . ?
C7 C6 1.388(5) . ?
C9 C14 1.499(4) . ?
C9 C8 1.335(5) . ?
C9 C10 1.510(5) . ?
C14 C13 1.495(4) . ?
C19 C20 1.394(5) . ?
C19 C22 1.490(5) . ?
C19 C18 1.386(5) . ?
C6 H6 0.9300 . ?
C4 H4 0.9300 . ?
C4 C3 1.383(5) . ?
C13 C15 1.337(5) . ?
C13 C12 1.505(5) . ?
C3 H3 0.9300 . ?
C20 H20 0.9300 . ?
C20 C21 1.389(5) . ?
C8 H8 0.9300 . ?
C22 Cd1 2.678(3) 1_546 ?
C16 C15 1.473(5) . ?
C16 C21 1.399(5) . ?
C16 C17 1.394(5) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C10 C11 1.518(5) . ?
C18 H18 0.9300 . ?
C18 C17 1.386(5) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C11 C12 1.522(5) . ?
C15 H15 0.9300 . ?
C21 H21 0.9300 . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C17 H17 0.9300 . ?
