#------------------------------------------------------------------------------
#$Date: 2016-02-18 14:25:00 +0200 (Thu, 18 Feb 2016) $
#$Revision: 176728 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/18/8101851.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_8101851
loop_
_publ_author_name
'B.-S. Zhang'
'Y.-H. Huang'
'H.-M. Gao'
_publ_section_title
;
Crystal structure of bis(2,2'-bipyridine-N,N')-bis(4-chlorobenzoato)
cadmium(II) trihydrate, [Cd(C₇H₄O₂Cl)₂(C₁₀H₈N₂)₂] 
· 3H₂O
;
_journal_issue                   3
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              376
_journal_page_last               378
_journal_volume                  220
_journal_year                    2005
_chemical_formula_structural
'[Cd(C~7~H~4~O~2~Cl)~2~(C~10~H~8~N~2~)~2~] &#x00B7; 3H~2~O'
_chemical_formula_sum            'C34 H30 Cd Cl2 N4 O7'
_chemical_formula_weight         789.92
_chemical_name_systematic
; 
bis(2,2'-bipyridine-N,N')bis(4-chlorobenzoato)cadmium(II) trihydrate
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_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     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 106.5680(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.7555(2)
_cell_length_b                   20.4059(3)
_cell_length_c                   12.3696(2)
_cell_measurement_temperature    293(2)
_cell_volume                     3327.91(9)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker APEX CCD II'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0342
_diffrn_reflns_av_sigmaI/netI    0.0366
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            34964
_diffrn_reflns_theta_full        28.02
_diffrn_reflns_theta_max         28.02
_diffrn_reflns_theta_min         1.54
_exptl_absorpt_coefficient_mu    0.872
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.577
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1600
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.19
_refine_diff_density_max         0.321
_refine_diff_density_min         -0.347
_refine_diff_density_rms         0.051
_refine_ls_extinction_coef       0.00045(12)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     458
_refine_ls_number_reflns         7990
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.027
_refine_ls_R_factor_all          0.0508
_refine_ls_R_factor_gt           0.0298
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0321P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0640
_refine_ls_wR_factor_ref         0.0682
_reflns_number_gt                5686
_reflns_number_total             7990
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            1267-1629.cff
_cod_data_source_block           tref
_cod_original_sg_symbol_H-M      P12(1)/c1
_cod_database_code               8101851
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Cd1 Cd 0.242483(10) 0.586939(7) 0.741700(11) 0.04040(6) Uani 1 4 e d . . .
N1 N 0.10334(12) 0.50959(8) 0.74173(15) 0.0472(4) Uani 1 4 e d . . .
N2 N 0.20467(12) 0.51513(8) 0.58416(14) 0.0443(4) Uani 1 4 e d . . .
N3 N 0.27475(12) 0.59088(8) 0.94013(14) 0.0443(4) Uani 1 4 e d . . .
N4 N 0.34351(12) 0.49108(8) 0.84045(14) 0.0426(4) Uani 1 4 e d . . .
O1 O 0.18102(13) 0.66751(8) 0.56421(15) 0.0714(5) Uani 1 4 e d . . .
O2 O 0.11042(12) 0.66262(8) 0.70351(15) 0.0656(5) Uani 1 4 e d . . .
O3 O 0.34908(11) 0.70111(8) 0.81073(13) 0.0593(4) Uani 1 4 e d . . .
O4 O 0.39576(10) 0.61976(7) 0.71812(13) 0.0518(4) Uani 1 4 e d . . .
O5 O 0.53393(16) 0.53710(10) 0.65332(18) 0.0715(6) Uani 1 4 e d . . .
H5B H 0.5018(17) 0.5515(11) 0.674(2) 0.034(8) Uiso 1 4 e d . . .
H5A H 0.508(3) 0.568(2) 0.553(5) 0.211(17) Uiso 1 4 e d . . .
O6 O 0.49229(19) 0.90984(11) 0.93551(19) 0.0809(6) Uani 1 4 e d . . .
H6B H 0.4466(17) 0.8872(12) 0.928(2) 0.052(9) Uiso 1 4 e d . . .
H6A H 0.481(4) 0.954(3) 0.890(5) 0.26(3) Uiso 1 4 e d . . .
O7 O 0.3174(2) 0.82368(11) 0.9125(2) 0.0949(8) Uani 1 4 e d . . .
H7A H 0.280(2) 0.8226(15) 0.951(3) 0.101(12) Uiso 1 4 e d . . .
H7B H 0.320(2) 0.7879(15) 0.890(3) 0.104(13) Uiso 1 4 e d . . .
Cl1 Cl -0.17384(6) 0.89927(3) 0.39326(6) 0.0847(2) Uani 1 4 e d . . .
Cl2 Cl 0.80290(5) 0.81295(3) 0.79597(6) 0.06959(18) Uani 1 4 e d . . .
C1 C 0.25867(17) 0.51754(12) 0.50965(19) 0.0549(6) Uani 1 4 e d . . .
H1 H 0.3077 0.5501 0.5182 0.066 Uiso 1 4 e calc R . .
C2 C 0.2455(2) 0.47474(13) 0.4218(2) 0.0647(7) Uani 1 4 e d . . .
H2 H 0.2857 0.4772 0.3730 0.078 Uiso 1 4 e calc R . .
C3 C 0.1712(2) 0.42792(12) 0.4077(2) 0.0711(7) Uani 1 4 e d . . .
H3 H 0.1599 0.3983 0.3482 0.085 Uiso 1 4 e calc R . .
C4 C 0.11397(19) 0.42503(11) 0.4814(2) 0.0606(6) Uani 1 4 e d . . .
H4 H 0.0627 0.3940 0.4715 0.073 Uiso 1 4 e calc R . .
C5 C 0.13262(15) 0.46872(10) 0.57119(17) 0.0438(5) Uani 1 4 e d . . .
C6 C 0.07583(14) 0.46649(10) 0.65670(18) 0.0427(5) Uani 1 4 e d . . .
C7 C -0.00187(17) 0.42178(10) 0.6503(2) 0.0563(6) Uani 1 4 e d . . .
H7 H -0.0213 0.3928 0.5900 0.068 Uiso 1 4 e calc R . .
C8 C -0.04967(18) 0.42071(12) 0.7335(3) 0.0676(7) Uani 1 4 e d . . .
H8 H -0.1010 0.3905 0.7305 0.081 Uiso 1 4 e calc R . .
C9 C -0.02174(18) 0.46399(13) 0.8204(2) 0.0675(7) Uani 1 4 e d . . .
H9 H -0.0530 0.4639 0.8779 0.081 Uiso 1 4 e calc R . .
C10 C 0.05454(17) 0.50819(12) 0.8209(2) 0.0601(6) Uani 1 4 e d . . .
H10 H 0.0728 0.5385 0.8793 0.072 Uiso 1 4 e calc R . .
C11 C 0.24759(17) 0.64373(12) 0.9882(2) 0.0573(6) Uani 1 4 e d . . .
H11 H 0.2223 0.6797 0.9428 0.069 Uiso 1 4 e calc R . .
C12 C 0.25512(18) 0.64770(13) 1.1015(2) 0.0655(7) Uani 1 4 e d . . .
H12 H 0.2375 0.6859 1.1325 0.079 Uiso 1 4 e calc R . .
C13 C 0.28946(17) 0.59346(13) 1.1672(2) 0.0638(7) Uani 1 4 e d . . .
H13 H 0.2929 0.5937 1.2434 0.077 Uiso 1 4 e calc R . .
C14 C 0.31867(16) 0.53892(11) 1.11923(18) 0.0525(5) Uani 1 4 e d . . .
H14 H 0.3421 0.5020 1.1629 0.063 Uiso 1 4 e calc R . .
C15 C 0.31309(14) 0.53911(10) 1.00598(16) 0.0414(5) Uani 1 4 e d . . .
C16 C 0.35507(14) 0.48533(10) 0.95178(17) 0.0413(5) Uani 1 4 e d . . .
C17 C 0.41021(17) 0.43388(11) 1.0138(2) 0.0546(6) Uani 1 4 e d . . .
H17 H 0.4161 0.4297 1.0902 0.065 Uiso 1 4 e calc R . .
C18 C 0.45574(17) 0.38937(11) 0.9608(2) 0.0573(6) Uani 1 4 e d . . .
H18 H 0.4935 0.3551 1.0016 0.069 Uiso 1 4 e calc R . .
C19 C 0.44571(16) 0.39534(11) 0.8491(2) 0.0537(6) Uani 1 4 e d . . .
H19 H 0.4772 0.3660 0.8124 0.064 Uiso 1 4 e calc R . .
C20 C 0.38712(16) 0.44643(11) 0.79108(19) 0.0513(5) Uani 1 4 e d . . .
H20 H 0.3778 0.4497 0.7138 0.062 Uiso 1 4 e calc R . .
C21 C 0.04099(15) 0.73754(10) 0.55498(18) 0.0458(5) Uani 1 4 e d . . .
C22 C -0.03002(18) 0.76122(11) 0.60547(19) 0.0571(6) Uani 1 4 e d . . .
H22 H -0.0325 0.7440 0.6742 0.069 Uiso 1 4 e calc R . .
C23 C -0.09687(18) 0.80995(11) 0.5549(2) 0.0619(6) Uani 1 4 e d . . .
H23 H -0.1452 0.8250 0.5885 0.074 Uiso 1 4 e calc R . .
C24 C -0.09144(17) 0.83612(10) 0.45452(18) 0.0518(5) Uani 1 4 e d . . .
C25 C -0.02244(16) 0.81340(10) 0.40227(19) 0.0513(5) Uani 1 4 e d . . .
H25 H -0.0193 0.8314 0.3343 0.062 Uiso 1 4 e calc R . .
C26 C 0.04183(16) 0.76361(10) 0.45236(18) 0.0489(5) Uani 1 4 e d . . .
H26 H 0.0872 0.7470 0.4161 0.059 Uiso 1 4 e calc R . .
C27 C 0.11669(17) 0.68534(10) 0.6119(2) 0.0538(6) Uani 1 4 e d . . .
C28 C 0.50800(15) 0.71027(9) 0.77213(17) 0.0416(5) Uani 1 4 e d . . .
C29 C 0.54978(16) 0.75345(10) 0.85894(18) 0.0481(5) Uani 1 4 e d . . .
H29 H 0.5154 0.7621 0.9121 0.058 Uiso 1 4 e calc R . .
C30 C 0.64118(16) 0.78391(10) 0.86865(18) 0.0503(5) Uani 1 4 e d . . .
H30 H 0.6691 0.8121 0.9285 0.060 Uiso 1 4 e calc R . .
C31 C 0.69054(15) 0.77198(10) 0.78823(18) 0.0460(5) Uani 1 4 e d . . .
C32 C 0.65012(17) 0.73006(11) 0.6996(2) 0.0572(6) Uani 1 4 e d . . .
H32 H 0.6838 0.7225 0.6454 0.069 Uiso 1 4 e calc R . .
C33 C 0.55905(17) 0.69944(10) 0.69214(19) 0.0528(6) Uani 1 4 e d . . .
H33 H 0.5315 0.6711 0.6324 0.063 Uiso 1 4 e calc R . .
C34 C 0.40997(15) 0.67555(10) 0.76639(17) 0.0443(5) Uani 1 4 e d . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 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'
Cl Cl 0.1484 0.1585 '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'
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 O2 118.03(5) . . ?
O4 Cd1 N3 102.30(5) . . ?
O2 Cd1 N3 95.31(6) . . ?
O4 Cd1 N2 93.99(5) . . ?
O2 Cd1 N2 105.50(6) . . ?
N3 Cd1 N2 143.53(6) . . ?
O4 Cd1 N1 156.49(5) . . ?
O2 Cd1 N1 82.22(6) . . ?
N3 Cd1 N1 86.45(6) . . ?
N2 Cd1 N1 67.60(6) . . ?
O4 Cd1 N4 83.60(5) . . ?
O2 Cd1 N4 155.35(6) . . ?
N3 Cd1 N4 66.88(5) . . ?
N2 Cd1 N4 83.08(5) . . ?
N1 Cd1 N4 79.86(5) . . ?
C10 N1 C6 118.21(19) . . ?
C10 N1 Cd1 124.23(15) . . ?
C6 N1 Cd1 117.56(13) . . ?
C1 N2 C5 118.52(19) . . ?
C1 N2 Cd1 120.49(14) . . ?
C5 N2 Cd1 120.88(13) . . ?
C11 N3 C15 118.39(18) . . ?
C11 N3 Cd1 119.70(14) . . ?
C15 N3 Cd1 121.72(13) . . ?
C20 N4 C16 118.21(18) . . ?
C20 N4 Cd1 124.78(14) . . ?
C16 N4 Cd1 117.01(13) . . ?
C27 O2 Cd1 100.28(14) . . ?
C34 O4 Cd1 102.92(12) . . ?
H5B O5 H5A 97(3) . . ?
H6B O6 H6A 118(4) . . ?
H7A O7 H7B 106(3) . . ?
N2 C1 C2 123.4(2) . . ?
N2 C1 H1 118.3 . . ?
C2 C1 H1 118.3 . . ?
C1 C2 C3 118.1(2) . . ?
C1 C2 H2 120.9 . . ?
C3 C2 H2 120.9 . . ?
C4 C3 C2 119.7(2) . . ?
C4 C3 H3 120.2 . . ?
C2 C3 H3 120.2 . . ?
C3 C4 C5 119.7(2) . . ?
C3 C4 H4 120.1 . . ?
C5 C4 H4 120.1 . . ?
N2 C5 C4 120.5(2) . . ?
N2 C5 C6 117.10(18) . . ?
C4 C5 C6 122.4(2) . . ?
N1 C6 C7 121.0(2) . . ?
N1 C6 C5 116.81(17) . . ?
C7 C6 C5 122.1(2) . . ?
C8 C7 C6 119.6(2) . . ?
C8 C7 H7 120.2 . . ?
C6 C7 H7 120.2 . . ?
C9 C8 C7 119.7(2) . . ?
C9 C8 H8 120.1 . . ?
C7 C8 H8 120.1 . . ?
C8 C9 C10 118.0(2) . . ?
C8 C9 H9 121.0 . . ?
C10 C9 H9 121.0 . . ?
N1 C10 C9 123.4(2) . . ?
N1 C10 H10 118.3 . . ?
C9 C10 H10 118.3 . . ?
N3 C11 C12 123.4(2) . . ?
N3 C11 H11 118.3 . . ?
C12 C11 H11 118.3 . . ?
C13 C12 C11 117.9(2) . . ?
C13 C12 H12 121.1 . . ?
C11 C12 H12 121.1 . . ?
C14 C13 C12 119.3(2) . . ?
C14 C13 H13 120.3 . . ?
C12 C13 H13 120.3 . . ?
C13 C14 C15 119.8(2) . . ?
C13 C14 H14 120.1 . . ?
C15 C14 H14 120.1 . . ?
N3 C15 C14 120.98(19) . . ?
N3 C15 C16 116.24(17) . . ?
C14 C15 C16 122.64(19) . . ?
N4 C16 C17 121.1(2) . . ?
N4 C16 C15 116.72(17) . . ?
C17 C16 C15 121.99(19) . . ?
C18 C17 C16 119.2(2) . . ?
C18 C17 H17 120.4 . . ?
C16 C17 H17 120.4 . . ?
C19 C18 C17 120.0(2) . . ?
C19 C18 H18 120.0 . . ?
C17 C18 H18 120.0 . . ?
C18 C19 C20 118.1(2) . . ?
C18 C19 H19 120.9 . . ?
C20 C19 H19 120.9 . . ?
N4 C20 C19 123.3(2) . . ?
N4 C20 H20 118.4 . . ?
C19 C20 H20 118.4 . . ?
C26 C21 C22 118.13(19) . . ?
C26 C21 C27 120.9(2) . . ?
C22 C21 C27 121.0(2) . . ?
C23 C22 C21 120.8(2) . . ?
C23 C22 H22 119.6 . . ?
C21 C22 H22 119.6 . . ?
C24 C23 C22 119.3(2) . . ?
C24 C23 H23 120.3 . . ?
C22 C23 H23 120.3 . . ?
C25 C24 C23 121.2(2) . . ?
C25 C24 Cl1 119.81(17) . . ?
C23 C24 Cl1 119.01(17) . . ?
C24 C25 C26 118.7(2) . . ?
C24 C25 H25 120.6 . . ?
C26 C25 H25 120.6 . . ?
C25 C26 C21 121.8(2) . . ?
C25 C26 H26 119.1 . . ?
C21 C26 H26 119.1 . . ?
O1 C27 O2 124.1(2) . . ?
O1 C27 C21 118.1(2) . . ?
O2 C27 C21 117.8(2) . . ?
C29 C28 C33 118.28(19) . . ?
C29 C28 C34 120.33(18) . . ?
C33 C28 C34 121.38(18) . . ?
C30 C29 C28 121.54(19) . . ?
C30 C29 H29 119.2 . . ?
C28 C29 H29 119.2 . . ?
C31 C30 C29 118.91(19) . . ?
C31 C30 H30 120.5 . . ?
C29 C30 H30 120.5 . . ?
C30 C31 C32 120.99(19) . . ?
C30 C31 Cl2 119.33(16) . . ?
C32 C31 Cl2 119.63(16) . . ?
C31 C32 C33 119.19(19) . . ?
C31 C32 H32 120.4 . . ?
C33 C32 H32 120.4 . . ?
C32 C33 C28 121.1(2) . . ?
C32 C33 H33 119.5 . . ?
C28 C33 H33 119.5 . . ?
O3 C34 O4 123.40(19) . . ?
O3 C34 C28 119.33(19) . . ?
O4 C34 C28 117.23(18) . . ?
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 2.3086(13) . ?
Cd1 O2 2.3278(15) . ?
Cd1 N3 2.3679(17) . ?
Cd1 N2 2.3743(17) . ?
Cd1 N1 2.4809(16) . ?
Cd1 N4 2.5063(16) . ?
N1 C10 1.336(3) . ?
N1 C6 1.340(3) . ?
N2 C1 1.339(3) . ?
N2 C5 1.347(2) . ?
N3 C11 1.335(3) . ?
N3 C15 1.346(2) . ?
N4 C20 1.331(3) . ?
N4 C16 1.346(2) . ?
O1 C27 1.249(3) . ?
O2 C27 1.250(3) . ?
O3 C34 1.239(2) . ?
O4 C34 1.274(2) . ?
O5 H5B 0.64(2) . ?
O5 H5A 1.34(6) . ?
O6 H6B 0.76(2) . ?
O6 H6A 1.04(6) . ?
O7 H7A 0.80(3) . ?
O7 H7B 0.78(3) . ?
Cl1 C24 1.741(2) . ?
Cl2 C31 1.736(2) . ?
C1 C2 1.365(3) . ?
C1 H1 0.9300 . ?
C2 C3 1.373(3) . ?
C2 H2 0.9300 . ?
C3 C4 1.365(3) . ?
C3 H3 0.9300 . ?
C4 C5 1.390(3) . ?
C4 H4 0.9300 . ?
C5 C6 1.484(3) . ?
C6 C7 1.390(3) . ?
C7 C8 1.370(3) . ?
C7 H7 0.9300 . ?
C8 C9 1.360(3) . ?
C8 H8 0.9300 . ?
C9 C10 1.382(3) . ?
C9 H9 0.9300 . ?
C10 H10 0.9300 . ?
C11 C12 1.378(3) . ?
C11 H11 0.9300 . ?
C12 C13 1.375(3) . ?
C12 H12 0.9300 . ?
C13 C14 1.374(3) . ?
C13 H13 0.9300 . ?
C14 C15 1.381(3) . ?
C14 H14 0.9300 . ?
C15 C16 1.486(3) . ?
C16 C17 1.391(3) . ?
C17 C18 1.371(3) . ?
C17 H17 0.9300 . ?
C18 C19 1.354(3) . ?
C18 H18 0.9300 . ?
C19 C20 1.386(3) . ?
C19 H19 0.9300 . ?
C20 H20 0.9300 . ?
C21 C26 1.379(3) . ?
C21 C22 1.388(3) . ?
C21 C27 1.515(3) . ?
C22 C23 1.377(3) . ?
C22 H22 0.9300 . ?
C23 C24 1.374(3) . ?
C23 H23 0.9300 . ?
C24 C25 1.372(3) . ?
C25 C26 1.373(3) . ?
C25 H25 0.9300 . ?
C26 H26 0.9300 . ?
C28 C29 1.381(3) . ?
C28 C33 1.385(3) . ?
C28 C34 1.507(3) . ?
C29 C30 1.377(3) . ?
C29 H29 0.9300 . ?
C30 C31 1.377(3) . ?
C30 H30 0.9300 . ?
C31 C32 1.377(3) . ?
C32 C33 1.379(3) . ?
C32 H32 0.9300 . ?
C33 H33 0.9300 . ?
