#------------------------------------------------------------------------------
#$Date: 2022-09-21 12:29:32 +0300 (Wed, 21 Sep 2022) $
#$Revision: 278037 $
#$URL: file:///home/coder/svn-repositories/cod/cif/8/10/58/8105823.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_8105823
loop_
_publ_author_name
'Zhang, Peng'
'Su, Yan'
_publ_section_title
;
 Crystal structure of
 poly[di-μ2-aqua)-diaqua-bis(μ6-4,4′,4′′-(benzene-1,3,5-triyltris(oxy))tribenzoato-κ6O1:O2:O3:O3:O5:O6)tricadmium(II)]
 dihydrate, C54H42Cd3O24
;
_journal_issue                   4
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              693
_journal_page_last               695
_journal_paper_doi               10.1515/ncrs-2019-0042
_journal_volume                  234
_journal_year                    2019
_chemical_formula_moiety         'C54 H38 Cd3 O22, 2(H2 O)'
_chemical_formula_sum            'C54 H42 Cd3 O24'
_chemical_formula_weight         1412.07
_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
_cell_angle_alpha                95.174(5)
_cell_angle_beta                 100.765(6)
_cell_angle_gamma                107.158(6)
_cell_formula_units_Z            1
_cell_length_a                   7.9122(5)
_cell_length_b                   9.0693(6)
_cell_length_c                   18.6637(11)
_cell_measurement_reflns_used    4026
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.8620
_cell_measurement_theta_min      3.8330
_cell_volume                     1242.00(15)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 16.2542
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.849
_diffrn_measurement_details
;
#__ type_ start__ end____ width___ exp.time_
  1 omega   23.00   82.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -       17.7173   57.0000    0.0000 59

#__ type_ start__ end____ width___ exp.time_
  2 omega  -31.00   39.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -       17.7173  -57.0000  -90.0000 70

#__ type_ start__ end____ width___ exp.time_
  3 omega  -51.00   31.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -       17.7173  -57.0000   60.0000 82

#__ type_ start__ end____ width___ exp.time_
  4 omega   69.00   94.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -       17.7173  178.0000  120.0000 25

#__ type_ start__ end____ width___ exp.time_
  5 omega   -4.00   87.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -       17.7173   57.0000 -150.0000 91

#__ type_ start__ end____ width___ exp.time_
  6 omega  -21.00   21.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      -19.6704  -99.0000   90.0000 42

#__ type_ start__ end____ width___ exp.time_
  7 omega   -3.00   22.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      -19.6704  -99.0000 -180.0000 25

#__ type_ start__ end____ width___ exp.time_
  8 omega   18.00   44.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      -19.6704   19.0000  -30.0000 26
;
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0067611000
_diffrn_orient_matrix_UB_12      -0.0200614000
_diffrn_orient_matrix_UB_13      -0.0367403000
_diffrn_orient_matrix_UB_21      -0.0718304000
_diffrn_orient_matrix_UB_22      0.0291859000
_diffrn_orient_matrix_UB_23      -0.0133826000
_diffrn_orient_matrix_UB_31      0.0637452000
_diffrn_orient_matrix_UB_32      0.0748992000
_diffrn_orient_matrix_UB_33      0.0020784000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0215
_diffrn_reflns_av_unetI/netI     0.0354
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.849
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            10241
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.849
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.980
_diffrn_reflns_theta_min         3.132
_diffrn_source                   'Enhance (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    1.366
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.71509
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.888
_exptl_crystal_description       block
_exptl_crystal_F_000             702
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.628
_refine_diff_density_min         -0.392
_refine_diff_density_rms         0.079
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     377
_refine_ls_number_reflns         5600
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.027
_refine_ls_R_factor_all          0.0336
_refine_ls_R_factor_gt           0.0266
_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)+(0.0255P)²+0.6864P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0605
_refine_ls_wR_factor_ref         0.0646
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4844
_reflns_number_total             5600
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            suppl_ncrs-2019-0042_suppl.cif
_cod_data_source_block           1
_cod_original_cell_volume        1241.99(15)
_cod_database_code               8105823
_chemical_oxdiff_formula         'C H O N Cd'
_chemical_oxdiff_usercomment     ZH-342
_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   0.853
_shelx_estimated_absorpt_t_min   0.718
_reflns_odcompleteness_completeness 99.66
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H) groups, All O(H,H) groups
2.a Free rotating group:
 O12(H12A,H12B)
2.b Rotating group:
 O11(H11A,H11B)
2.c Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C6(H6), C7(H7), C9(H9), C10(H10), C12(H12), C13(H13),
 C16(H16), C17(H17), C19(H19), C20(H20), C23(H23), C25(H25), C27(H27)
;
_olex2_submission_special_instructions 'No special instructions were received'
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 0.76554(2) 0.41011(2) 0.00740(2) 0.02280(6) Uani 1 1 d . . . . .
Cd2 Cd 0.500000 0.000000 0.000000 0.02298(7) Uani 1 2 d S T P . .
O1 O 0.4397(3) 0.1793(2) 0.08104(10) 0.0350(5) Uani 1 1 d . . . . .
O2 O 0.6937(3) 0.3805(2) 0.11671(11) 0.0383(5) Uani 1 1 d . . . . .
O3 O 0.0557(2) 0.54997(19) 0.07793(9) 0.0228(4) Uani 1 1 d . . . . .
O4 O 0.0896(3) 0.7949(2) 0.12424(11) 0.0386(5) Uani 1 1 d . . . . .
O5 O 0.5456(3) 0.3034(2) -0.09691(11) 0.0424(5) Uani 1 1 d . . . . .
O6 O 0.3550(3) 0.0688(3) -0.09491(11) 0.0479(6) Uani 1 1 d . . . . .
O7 O 0.5750(3) 0.2077(2) 0.43028(11) 0.0358(5) Uani 1 1 d . . . . .
O8 O 0.1599(3) 0.5070(2) 0.42122(10) 0.0331(4) Uani 1 1 d . . . . .
O9 O 0.1132(2) 0.1030(2) 0.56798(10) 0.0319(4) Uani 1 1 d . . . . .
O10 O 0.8005(3) 0.1613(2) 0.00188(11) 0.0267(4) Uani 1 1 d . . . . .
O11 O 0.7336(4) 0.6489(3) 0.00533(15) 0.0611(7) Uani 1 1 d . . . . .
H11A H 0.741048 0.691435 0.049390 0.092 Uiso 1 1 d GR . . . .
H11B H 0.629410 0.640636 -0.021503 0.092 Uiso 1 1 d GR . . . .
C1 C 0.0818(3) 0.6574(3) 0.13226(14) 0.0220(5) Uani 1 1 d . . . . .
C2 C 0.1048(3) 0.6145(3) 0.20792(13) 0.0207(5) Uani 1 1 d . . . . .
C3 C 0.1196(3) 0.4692(3) 0.21939(14) 0.0250(5) Uani 1 1 d . . . . .
H3 H 0.113945 0.397411 0.179410 0.030 Uiso 1 1 calc R . . . .
C4 C 0.1428(4) 0.4301(3) 0.28981(15) 0.0272(6) Uani 1 1 d . . . . .
H4 H 0.152253 0.332477 0.297170 0.033 Uiso 1 1 calc R . . . .
C5 C 0.1519(3) 0.5380(3) 0.34937(14) 0.0247(5) Uani 1 1 d . . . . .
C6 C 0.1372(4) 0.6833(3) 0.33886(14) 0.0271(6) Uani 1 1 d . . . . .
H6 H 0.143669 0.755139 0.378927 0.033 Uiso 1 1 calc R . . . .
C7 C 0.1128(3) 0.7206(3) 0.26826(14) 0.0255(5) Uani 1 1 d . . . . .
H7 H 0.101650 0.817685 0.260972 0.031 Uiso 1 1 calc R . . . .
C8 C 0.5787(4) 0.2220(3) 0.35630(14) 0.0275(6) Uani 1 1 d . . . . .
C9 C 0.4577(4) 0.1074(3) 0.30133(16) 0.0342(6) Uani 1 1 d . . . . .
H9 H 0.378553 0.019913 0.313440 0.041 Uiso 1 1 calc R . . . .
H10A H 0.836(5) 0.165(4) -0.035(2) 0.051 Uiso 1 1 d R . . . .
H10B H 0.868(5) 0.149(4) 0.032(2) 0.051 Uiso 1 1 d R . . . .
C10 C 0.4548(4) 0.1231(3) 0.22819(16) 0.0306(6) Uani 1 1 d . . . . .
H10 H 0.373561 0.045906 0.191024 0.037 Uiso 1 1 calc R . . . .
C11 C 0.5730(3) 0.2542(3) 0.20991(14) 0.0230(5) Uani 1 1 d . . . . .
C12 C 0.6962(3) 0.3662(3) 0.26603(14) 0.0273(6) Uani 1 1 d . . . . .
H12 H 0.777248 0.453019 0.254293 0.033 Uiso 1 1 calc R . . . .
C13 C 0.7000(4) 0.3503(3) 0.33964(15) 0.0301(6) Uani 1 1 d . . . . .
H13 H 0.783536 0.425338 0.377095 0.036 Uiso 1 1 calc R . . . .
C14 C 0.5697(3) 0.2727(3) 0.13063(14) 0.0257(5) Uani 1 1 d . . . . .
C15 C 0.1965(3) 0.1278(3) 0.64167(13) 0.0223(5) Uani 1 1 d . . . . .
C16 C 0.3378(4) 0.2601(3) 0.67622(15) 0.0296(6) Uani 1 1 d . . . . .
H16 H 0.386830 0.336288 0.648994 0.036 Uiso 1 1 calc R . . . .
C17 C 0.4060(4) 0.2790(3) 0.75139(15) 0.0285(6) Uani 1 1 d . . . . .
H17 H 0.498684 0.369720 0.774802 0.034 Uiso 1 1 calc R . . . .
C18 C 0.3378(3) 0.1642(3) 0.79238(14) 0.0226(5) Uani 1 1 d . . . . .
C19 C 0.1963(3) 0.0313(3) 0.75666(14) 0.0263(6) Uani 1 1 d . . . . .
H19 H 0.148978 -0.046176 0.783590 0.032 Uiso 1 1 calc R . . . .
C20 C 0.1251(3) 0.0125(3) 0.68187(14) 0.0260(5) Uani 1 1 d . . . . .
H20 H 0.029970 -0.076697 0.658552 0.031 Uiso 1 1 calc R . . . .
C21 C 0.4198(3) 0.1806(3) 0.87246(14) 0.0272(6) Uani 1 1 d . . . . .
C22 C 0.2229(4) 0.3891(3) 0.44462(14) 0.0266(5) Uani 1 1 d . . . . .
C23 C 0.1373(4) 0.3053(3) 0.49400(14) 0.0272(6) Uani 1 1 d . . . . .
H23 H 0.037859 0.324670 0.507784 0.033 Uiso 1 1 calc R . . . .
C24 C 0.2040(4) 0.1932(3) 0.52175(13) 0.0267(6) Uani 1 1 d . . . . .
C25 C 0.3507(4) 0.1589(3) 0.50163(14) 0.0293(6) Uani 1 1 d . . . . .
H25 H 0.392960 0.081926 0.520755 0.035 Uiso 1 1 calc R . . . .
C26 C 0.4311(4) 0.2442(3) 0.45190(14) 0.0274(6) Uani 1 1 d . . . . .
C27 C 0.3712(4) 0.3609(3) 0.42445(14) 0.0278(6) Uani 1 1 d . . . . .
H27 H 0.430043 0.419786 0.392757 0.033 Uiso 1 1 calc R . . . .
O12 O 0.0594(3) 0.1073(2) 0.10174(14) 0.0455(5) Uani 1 1 d . . . . .
H12A H 0.165024 0.130014 0.093056 0.068 Uiso 1 1 d G . . . .
H12B H 0.030340 0.016771 0.114082 0.068 Uiso 1 1 d G . . . .
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'
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
O2 Cd1 O3 158.39(7) . 2_665
O2 Cd1 O3 84.53(7) . 1_655
O2 Cd1 O5 118.66(7) . .
O2 Cd1 O10 88.06(7) . .
O2 Cd1 O11 95.46(9) . .
O3 Cd1 O3 75.92(7) 2_665 1_655
O3 Cd1 O10 97.14(6) 1_655 .
O3 Cd1 O10 85.35(6) 2_665 .
O5 Cd1 O3 156.80(7) . 1_655
O5 Cd1 O3 81.22(7) . 2_665
O5 Cd1 O10 84.78(8) . .
O11 Cd1 O3 91.56(8) . 2_665
O11 Cd1 O3 83.79(8) . 1_655
O11 Cd1 O5 93.01(9) . .
O11 Cd1 O10 176.44(8) . .
O1 Cd2 O1 180.0 . 2_655
O1 Cd2 O10 95.25(7) . .
O1 Cd2 O10 84.75(7) . 2_655
O1 Cd2 O10 95.25(7) 2_655 2_655
O1 Cd2 O10 84.75(7) 2_655 .
O6 Cd2 O1 91.57(8) 2_655 2_655
O6 Cd2 O1 88.43(8) . 2_655
O6 Cd2 O1 91.57(8) . .
O6 Cd2 O1 88.43(8) 2_655 .
O6 Cd2 O6 180.0 . 2_655
O6 Cd2 O10 81.18(7) . 2_655
O6 Cd2 O10 81.18(7) 2_655 .
O6 Cd2 O10 98.82(7) 2_655 2_655
O6 Cd2 O10 98.82(7) . .
O10 Cd2 O10 180.0 . 2_655
C14 O1 Cd2 119.29(16) . .
C14 O2 Cd1 127.38(17) . .
Cd1 O3 Cd1 104.07(7) 2_665 1_455
C1 O3 Cd1 122.05(15) . 1_455
C1 O3 Cd1 120.45(14) . 2_665
C21 O5 Cd1 142.91(18) 1_554 .
C21 O6 Cd2 126.08(18) 1_554 .
C26 O7 C8 113.1(2) . .
C22 O8 C5 121.2(2) . .
C15 O9 C24 117.89(19) . .
Cd1 O10 Cd2 101.51(7) . .
O3 C1 C2 117.5(2) . .
O4 C1 O3 123.0(2) . .
O4 C1 C2 119.5(2) . .
C3 C2 C1 120.7(2) . .
C3 C2 C7 119.1(2) . .
C7 C2 C1 120.2(2) . .
C4 C3 C2 120.6(2) . .
C3 C4 C5 119.4(2) . .
O8 C5 C4 124.2(2) . .
C6 C5 O8 114.9(2) . .
C6 C5 C4 120.7(2) . .
C7 C6 C5 119.4(2) . .
C6 C7 C2 120.8(2) . .
C9 C8 O7 119.1(2) . .
C13 C8 O7 119.8(2) . .
C13 C8 C9 121.1(2) . .
C8 C9 C10 119.7(2) . .
C9 C10 C11 120.3(3) . .
C10 C11 C14 120.6(2) . .
C12 C11 C10 119.1(2) . .
C12 C11 C14 120.3(2) . .
C11 C12 C13 120.8(2) . .
C8 C13 C12 119.1(2) . .
O1 C14 C11 118.5(2) . .
O2 C14 O1 123.3(2) . .
O2 C14 C11 118.2(2) . .
O9 C15 C16 123.8(2) . .
O9 C15 C20 115.8(2) . .
C16 C15 C20 120.3(2) . .
C15 C16 C17 119.8(2) . .
C16 C17 C18 120.8(2) . .
C17 C18 C19 118.7(2) . .
C17 C18 C21 120.5(2) . .
C19 C18 C21 120.7(2) . .
C20 C19 C18 121.0(2) . .
C19 C20 C15 119.5(2) . .
O5 C21 O6 124.4(3) 1_556 1_556
O5 C21 C18 118.9(2) 1_556 .
O6 C21 C18 116.7(2) 1_556 .
O8 C22 C23 116.7(2) . .
O8 C22 C27 122.2(2) . .
C27 C22 C23 120.9(2) . .
C24 C23 C22 118.1(2) . .
C23 C24 O9 118.5(2) . .
C23 C24 C25 122.8(2) . .
C25 C24 O9 118.6(2) . .
C26 C25 C24 117.3(2) . .
C25 C26 O7 117.5(2) . .
C27 C26 O7 120.9(2) . .
C27 C26 C25 121.6(2) . .
C22 C27 C26 119.3(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cd1 O2 2.2359(18) .
Cd1 O3 2.3044(15) 2_665
Cd1 O3 2.3376(17) 1_655
Cd1 O5 2.271(2) .
Cd1 O10 2.3486(19) .
Cd1 O11 2.256(2) .
Cd2 O1 2.3332(19) 2_655
Cd2 O1 2.3332(19) .
Cd2 O6 2.169(2) 2_655
Cd2 O6 2.169(2) .
Cd2 O10 2.3877(18) .
Cd2 O10 2.3877(18) 2_655
O1 C14 1.273(3) .
O2 C14 1.249(3) .
O3 C1 1.282(3) .
O4 C1 1.255(3) .
O5 C21 1.255(3) 1_554
O6 C21 1.259(3) 1_554
O7 C8 1.403(3) .
O7 C26 1.392(3) .
O8 C5 1.389(3) .
O8 C22 1.378(3) .
O9 C15 1.376(3) .
O9 C24 1.394(3) .
C1 C2 1.491(3) .
C2 C3 1.389(3) .
C2 C7 1.393(3) .
C3 C4 1.385(4) .
C4 C5 1.390(4) .
C5 C6 1.384(4) .
C6 C7 1.383(4) .
C8 C9 1.380(4) .
C8 C13 1.374(4) .
C9 C10 1.382(4) .
C10 C11 1.393(3) .
C11 C12 1.386(4) .
C11 C14 1.500(3) .
C12 C13 1.390(4) .
C15 C16 1.380(3) .
C15 C20 1.388(3) .
C16 C17 1.381(4) .
C17 C18 1.388(3) .
C18 C19 1.390(4) .
C18 C21 1.489(3) .
C19 C20 1.379(4) .
C22 C23 1.393(3) .
C22 C27 1.381(4) .
C23 C24 1.375(4) .
C24 C25 1.392(4) .
C25 C26 1.388(3) .
C26 C27 1.382(4) .
