#------------------------------------------------------------------------------
#$Date: 2016-03-26 22:37:38 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180513 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/82/7218273.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_7218273
loop_
_publ_author_name
'Carter, Korey P.'
'Zulato, Cecília H. F.'
'Cahill, Christopher L.'
_publ_section_title
;
 Exploring supramolecular assembly and luminescent behavior in a series of
 RE-p-chlorobenzoic acid-1,10-phenanthroline complexes
;
_journal_issue                   44
_journal_name_full               CrystEngComm
_journal_page_first              10189
_journal_paper_doi               10.1039/C4CE01806K
_journal_volume                  16
_journal_year                    2014
_chemical_formula_sum            'C66 H44 Cl6 La2 N4 O14'
_chemical_formula_weight         1607.57
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2013
_cell_angle_alpha                99.312(3)
_cell_angle_beta                 100.740(4)
_cell_angle_gamma                96.354(4)
_cell_formula_units_Z            1
_cell_length_a                   10.0914(5)
_cell_length_b                   12.6143(6)
_cell_length_c                   13.2987(6)
_cell_measurement_reflns_used    21900
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      45.288
_cell_measurement_theta_min      4.672
_cell_volume                     1623.89(14)
_computing_cell_refinement       'SAINT, Bruker-AXS'
_computing_data_collection       'APEX, Bruker-AXS'
_computing_data_reduction        'SAINT, Bruker-AXS'
_computing_molecular_graphics    'Crystal Maker (Palmer, 2009)'
_computing_publication_material  'WINGX (Farrugia, 2012)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SIR92 (Gualardi, 1994)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX II CCD'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0451
_diffrn_reflns_av_unetI/netI     0.0554
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            21899
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.500
_diffrn_reflns_theta_max         27.632
_diffrn_reflns_theta_min         1.586
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    1.613
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6783
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'SADABS, Bruker-AXS (2008)'
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.644
_exptl_crystal_description       Plate
_exptl_crystal_F_000             796
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.521
_refine_diff_density_min         -0.544
_refine_diff_density_rms         0.087
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.013
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     423
_refine_ls_number_reflns         7553
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.013
_refine_ls_R_factor_all          0.0508
_refine_ls_R_factor_gt           0.0347
_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)+(0.0250P)²+0.0180P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0603
_refine_ls_wR_factor_ref         0.0659
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6092
_reflns_number_total             7553
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c4ce01806k2.cif
_cod_data_source_block           Compound_1
_cod_depositor_comments
'Adding full bibliography for 7218273--7218283.cif.'
_cod_database_code               7218273
#BEGIN Tags that were not found in dictionaries:
_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.
;
_shelxl_version_number           2013-4
#END Tags that were not found in dictionaries
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
La1 La 0.15010(2) 0.12744(2) 0.99909(2) 0.02853(6) Uani 1 1 d . .
Cl1 Cl -0.64285(10) 0.08804(10) 0.54766(9) 0.0761(3) Uani 1 1 d . .
Cl2 Cl -0.07004(12) -0.27970(11) 0.33720(7) 0.0860(4) Uani 1 1 d . .
Cl3 Cl 0.74914(18) 0.44509(12) 1.58956(11) 0.1352(7) Uani 1 1 d . .
O2 O 0.1319(2) -0.05218(16) 1.05850(16) 0.0419(5) Uani 1 1 d . .
OW1 O 0.3553(2) 0.05028(19) 0.94572(19) 0.0453(6) Uani 1 1 d D .
O3 O 0.0905(2) -0.00415(17) 0.82807(16) 0.0447(6) Uani 1 1 d . .
O1 O -0.0417(2) 0.18919(16) 0.87978(17) 0.0430(5) Uani 1 1 d . .
O4 O 0.0551(2) 0.14335(17) 1.15551(16) 0.0494(6) Uani 1 1 d . .
O5 O 0.3589(2) 0.20397(18) 1.13128(17) 0.0481(6) Uani 1 1 d . .
O6 O 0.5570(2) 0.15571(18) 1.1045(2) 0.0553(6) Uani 1 1 d . .
N2 N 0.2786(3) 0.2837(2) 0.9146(2) 0.0384(6) Uani 1 1 d . .
C14 C -0.2649(3) 0.1057(2) 0.7938(2) 0.0336(7) Uani 1 1 d . .
C12 C 0.1992(3) 0.4224(2) 1.0260(2) 0.0366(7) Uani 1 1 d . .
N1 N 0.1314(3) 0.34339(19) 1.06342(19) 0.0363(6) Uani 1 1 d . .
C11 C 0.2747(3) 0.3915(2) 0.9478(2) 0.0384(8) Uani 1 1 d . .
C20 C 0.0109(3) -0.0906(3) 0.7920(2) 0.0371(7) Uani 1 1 d . .
C27 C 0.4860(3) 0.2033(2) 1.1594(3) 0.0421(8) Uani 1 1 d . .
C21 C -0.0080(3) -0.1385(2) 0.6787(2) 0.0347(7) Uani 1 1 d . .
C13 C -0.1390(3) 0.1166(2) 0.8768(2) 0.0349(7) Uani 1 1 d . .
C15 C -0.2625(3) 0.1598(3) 0.7109(2) 0.0424(8) Uani 1 1 d . .
H15 H -0.1821 0.2013 0.7071 0.051 Uiso 1 1 calc R U
C18 C -0.5006(3) 0.0365(3) 0.7216(3) 0.0505(9) Uani 1 1 d . .
H18 H -0.5810 -0.0055 0.7245 0.061 Uiso 1 1 calc R U
C17 C -0.4956(3) 0.0915(3) 0.6413(3) 0.0477(9) Uani 1 1 d . .
C7 C 0.3433(4) 0.4728(3) 0.9067(3) 0.0525(9) Uani 1 1 d . .
C4 C 0.1923(4) 0.5336(2) 1.0593(3) 0.0478(9) Uani 1 1 d . .
C16 C -0.3770(3) 0.1528(3) 0.6345(3) 0.0498(9) Uani 1 1 d . .
H16 H -0.3745 0.1889 0.5791 0.060 Uiso 1 1 calc R U
C24 C -0.0457(3) -0.2255(3) 0.4696(2) 0.0481(9) Uani 1 1 d . .
C1 C 0.0569(3) 0.3740(3) 1.1320(3) 0.0468(8) Uani 1 1 d . .
H1 H 0.0104 0.3201 1.1578 0.056 Uiso 1 1 calc R U
C10 C 0.3487(4) 0.2573(3) 0.8429(3) 0.0518(9) Uani 1 1 d . .
H10 H 0.3520 0.1840 0.8208 0.062 Uiso 1 1 calc R U
C25 C -0.1165(4) -0.2762(3) 0.5304(3) 0.0546(10) Uani 1 1 d . .
H25 H -0.1769 -0.3397 0.5018 0.065 Uiso 1 1 calc R U
C28 C 0.5523(3) 0.2653(3) 1.2662(3) 0.0471(9) Uani 1 1 d . .
C19 C -0.3849(3) 0.0442(3) 0.7981(3) 0.0458(8) Uani 1 1 d . .
H19 H -0.3880 0.0075 0.8531 0.055 Uiso 1 1 calc R U
C3 C 0.1118(4) 0.5609(3) 1.1318(3) 0.0594(11) Uani 1 1 d . .
H3 H 0.1051 0.6333 1.1551 0.071 Uiso 1 1 calc R U
C26 C -0.0975(3) -0.2324(3) 0.6345(3) 0.0477(9) Uani 1 1 d . .
H26 H -0.1460 -0.2668 0.6760 0.057 Uiso 1 1 calc R U
C8 C 0.4152(4) 0.4395(3) 0.8299(3) 0.0657(11) Uani 1 1 d . .
H8 H 0.4607 0.4911 0.8008 0.079 Uiso 1 1 calc R U
C22 C 0.0637(3) -0.0884(3) 0.6152(3) 0.0469(8) Uani 1 1 d . .
H22 H 0.1244 -0.0249 0.6433 0.056 Uiso 1 1 calc R U
C2 C 0.0435(4) 0.4812(3) 1.1681(3) 0.0551(10) Uani 1 1 d . .
H2 H -0.0110 0.4980 1.2159 0.066 Uiso 1 1 calc R U
C9 C 0.4194(4) 0.3329(3) 0.7975(3) 0.0654(11) Uani 1 1 d . .
H9 H 0.4674 0.3102 0.7467 0.078 Uiso 1 1 calc R U
C5 C 0.2640(4) 0.6130(3) 1.0175(3) 0.0674(12) Uani 1 1 d . .
H5 H 0.2609 0.6861 1.0408 0.081 Uiso 1 1 calc R U
C33 C 0.6925(4) 0.2847(3) 1.2985(4) 0.0743(13) Uani 1 1 d . .
H33 H 0.7472 0.2593 1.2535 0.089 Uiso 1 1 calc R U
C23 C 0.0451(4) -0.1324(3) 0.5106(3) 0.0537(9) Uani 1 1 d . .
H23 H 0.0936 -0.0992 0.4683 0.064 Uiso 1 1 calc R U
C6 C 0.3358(4) 0.5849(3) 0.9453(4) 0.0690(12) Uani 1 1 d . .
H6 H 0.3820 0.6388 0.9194 0.083 Uiso 1 1 calc R U
C32 C 0.7516(5) 0.3414(4) 1.3972(4) 0.0940(17) Uani 1 1 d . .
H32 H 0.8461 0.3551 1.4181 0.113 Uiso 1 1 calc R U
C29 C 0.4764(4) 0.3039(4) 1.3347(3) 0.0788(13) Uani 1 1 d . .
H29 H 0.3819 0.2925 1.3141 0.095 Uiso 1 1 calc R U
C30 C 0.5361(5) 0.3595(4) 1.4342(4) 0.0956(16) Uani 1 1 d . .
H30 H 0.4823 0.3842 1.4801 0.115 Uiso 1 1 calc R U
C31 C 0.6730(6) 0.3773(4) 1.4639(4) 0.0828(15) Uani 1 1 d . .
HW1 H 0.438(3) 0.083(3) 0.993(2) 0.076(13) Uiso 1 1 d D .
HW2 H 0.364(4) -0.0212(18) 0.920(3) 0.101(16) Uiso 1 1 d 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'
La La -0.2871 2.4523 '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
O4 La1 O5 80.41(8) . .
O4 La1 O2 70.20(7) . .
O5 La1 O2 93.38(7) . .
O4 La1 O3 133.10(7) . .
O5 La1 O3 136.44(7) . .
O2 La1 O3 78.35(7) . .
O4 La1 O1 98.41(8) . .
O5 La1 O1 140.08(7) . .
O2 La1 O1 124.07(7) . .
O3 La1 O1 71.43(7) . .
O4 La1 OW1 134.86(8) . .
O5 La1 OW1 69.83(8) . .
O2 La1 OW1 78.32(7) . .
O3 La1 OW1 66.61(8) . .
O1 La1 OW1 126.22(8) . .
O4 La1 N2 130.42(8) . .
O5 La1 N2 75.51(7) . .
O2 La1 N2 152.46(7) . .
O3 La1 N2 92.33(7) . .
O1 La1 N2 75.51(7) . .
OW1 La1 N2 74.21(8) . .
O4 La1 N1 71.95(7) . .
O5 La1 N1 73.45(7) . .
O2 La1 N1 141.48(7) . .
O3 La1 N1 135.58(7) . .
O1 La1 N1 68.45(7) . .
OW1 La1 N1 126.67(8) . .
N2 La1 N1 59.93(8) . .
O4 La1 O2 71.15(7) . 2_557
O5 La1 O2 151.56(7) . 2_557
O2 La1 O2 77.23(7) . 2_557
O3 La1 O2 68.54(7) . 2_557
O1 La1 O2 48.33(6) . 2_557
OW1 La1 O2 132.15(7) . 2_557
N2 La1 O2 123.64(7) . 2_557
N1 La1 O2 97.16(7) . 2_557
O4 La1 C13 87.08(8) . .
O5 La1 C13 157.07(7) . .
O2 La1 C13 100.39(8) . .
O3 La1 C13 65.06(7) . .
O1 La1 C13 23.93(7) . .
OW1 La1 C13 130.79(8) . .
N2 La1 C13 98.91(8) . .
N1 La1 C13 84.46(7) . .
O2 La1 C13 24.74(6) 2_557 .
O4 La1 La1 65.00(5) . 2_557
O5 La1 La1 129.01(5) . 2_557
O2 La1 La1 41.20(5) . 2_557
O3 La1 La1 68.36(5) . 2_557
O1 La1 La1 83.62(5) . 2_557
OW1 La1 La1 109.34(6) . 2_557
N2 La1 La1 155.36(5) . 2_557
N1 La1 La1 123.78(5) . 2_557
O2 La1 La1 36.03(4) 2_557 2_557
C13 La1 La1 59.69(6) . 2_557
C13 O2 La1 156.9(2) 2_557 .
C13 O2 La1 87.47(18) 2_557 2_557
La1 O2 La1 102.77(7) . 2_557
La1 OW1 HW1 111(2) . .
La1 OW1 HW2 129(3) . .
HW1 OW1 HW2 108(3) . .
C20 O3 La1 135.4(2) . .
C13 O1 La1 100.91(18) . .
C20 O4 La1 143.8(2) 2_557 .
C27 O5 La1 146.0(2) . .
C10 N2 C11 117.9(3) . .
C10 N2 La1 120.9(2) . .
C11 N2 La1 121.2(2) . .
C19 C14 C15 118.7(3) . .
C19 C14 C13 121.6(3) . .
C15 C14 C13 119.7(3) . .
N1 C12 C4 121.7(3) . .
N1 C12 C11 118.8(3) . .
C4 C12 C11 119.4(3) . .
C1 N1 C12 117.5(3) . .
C1 N1 La1 121.5(2) . .
C12 N1 La1 120.99(19) . .
N2 C11 C7 121.6(3) . .
N2 C11 C12 119.0(3) . .
C7 C11 C12 119.3(3) . .
O3 C20 O4 124.9(3) . 2_557
O3 C20 C21 118.8(3) . .
O4 C20 C21 116.2(3) 2_557 .
O6 C27 O5 124.6(3) . .
O6 C27 C28 119.2(3) . .
O5 C27 C28 116.2(3) . .
C26 C21 C22 118.4(3) . .
C26 C21 C20 121.1(3) . .
C22 C21 C20 120.5(3) . .
O1 C13 O2 121.6(3) . 2_557
O1 C13 C14 118.5(3) . .
O2 C13 C14 119.9(3) 2_557 .
O1 C13 La1 55.16(15) . .
O2 C13 La1 67.80(16) 2_557 .
C14 C13 La1 165.7(2) . .
C16 C15 C14 121.0(3) . .
C16 C15 H15 119.5 . .
C14 C15 H15 119.5 . .
C17 C18 C19 119.3(3) . .
C17 C18 H18 120.4 . .
C19 C18 H18 120.4 . .
C18 C17 C16 121.3(3) . .
C18 C17 Cl1 119.8(3) . .
C16 C17 Cl1 118.9(3) . .
C8 C7 C11 117.7(3) . .
C8 C7 C6 123.4(3) . .
C11 C7 C6 118.9(4) . .
C3 C4 C12 118.1(3) . .
C3 C4 C5 122.2(3) . .
C12 C4 C5 119.7(4) . .
C15 C16 C17 119.0(3) . .
C15 C16 H16 120.5 . .
C17 C16 H16 120.5 . .
C25 C24 C23 121.3(3) . .
C25 C24 Cl2 119.6(3) . .
C23 C24 Cl2 119.1(3) . .
N1 C1 C2 124.5(3) . .
N1 C1 H1 117.8 . .
C2 C1 H1 117.8 . .
N2 C10 C9 124.1(3) . .
N2 C10 H10 117.9 . .
C9 C10 H10 117.9 . .
C24 C25 C26 119.2(3) . .
C24 C25 H25 120.4 . .
C26 C25 H25 120.4 . .
C29 C28 C33 117.8(4) . .
C29 C28 C27 121.1(3) . .
C33 C28 C27 121.1(4) . .
C14 C19 C18 120.7(3) . .
C14 C19 H19 119.6 . .
C18 C19 H19 119.6 . .
C2 C3 C4 119.7(3) . .
C2 C3 H3 120.1 . .
C4 C3 H3 120.1 . .
C25 C26 C21 121.5(3) . .
C25 C26 H26 119.3 . .
C21 C26 H26 119.3 . .
C9 C8 C7 120.6(3) . .
C9 C8 H8 119.7 . .
C7 C8 H8 119.7 . .
C23 C22 C21 120.3(3) . .
C23 C22 H22 119.8 . .
C21 C22 H22 119.8 . .
C3 C2 C1 118.4(4) . .
C3 C2 H2 120.8 . .
C1 C2 H2 120.8 . .
C8 C9 C10 118.0(4) . .
C8 C9 H9 121.0 . .
C10 C9 H9 121.0 . .
C6 C5 C4 121.2(4) . .
C6 C5 H5 119.4 . .
C4 C5 H5 119.4 . .
C32 C33 C28 120.2(4) . .
C32 C33 H33 119.9 . .
C28 C33 H33 119.9 . .
C24 C23 C22 119.4(3) . .
C24 C23 H23 120.3 . .
C22 C23 H23 120.3 . .
C5 C6 C7 121.4(4) . .
C5 C6 H6 119.3 . .
C7 C6 H6 119.3 . .
C31 C32 C33 120.4(4) . .
C31 C32 H32 119.8 . .
C33 C32 H32 119.8 . .
C28 C29 C30 121.8(4) . .
C28 C29 H29 119.1 . .
C30 C29 H29 119.1 . .
C31 C30 C29 119.3(5) . .
C31 C30 H30 120.4 . .
C29 C30 H30 120.4 . .
C30 C31 C32 120.5(5) . .
C30 C31 Cl3 119.7(5) . .
C32 C31 Cl3 119.8(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
La1 O4 2.437(2) .
La1 O5 2.466(2) .
La1 O2 2.517(2) .
La1 O3 2.517(2) .
La1 O1 2.542(2) .
La1 OW1 2.551(2) .
La1 N2 2.743(2) .
La1 N1 2.758(2) .
La1 O2 2.818(2) 2_557
La1 C13 3.041(3) .
Cl1 C17 1.743(3) .
Cl2 C24 1.744(3) .
Cl3 C31 1.741(5) .
O2 C13 1.274(3) 2_557
O2 La1 2.818(2) 2_557
OW1 HW1 0.954(19) .
OW1 HW2 0.931(19) .
O3 C20 1.249(4) .
O1 C13 1.256(3) .
O4 C20 1.264(3) 2_557
O5 C27 1.268(4) .
O6 C27 1.247(4) .
N2 C10 1.313(4) .
N2 C11 1.367(4) .
C14 C19 1.380(4) .
C14 C15 1.390(4) .
C14 C13 1.497(4) .
C12 N1 1.359(4) .
C12 C4 1.414(4) .
C12 C11 1.430(4) .
N1 C1 1.323(4) .
C11 C7 1.413(4) .
C20 O4 1.264(3) 2_557
C20 C21 1.499(4) .
C27 C28 1.500(5) .
C21 C26 1.379(4) .
C21 C22 1.392(4) .
C13 O2 1.274(3) 2_557
C15 C16 1.373(4) .
C15 H15 0.9300 .
C18 C17 1.369(5) .
C18 C19 1.381(4) .
C18 H18 0.9300 .
C17 C16 1.376(4) .
C7 C8 1.396(5) .
C7 C6 1.439(5) .
C4 C3 1.398(5) .
C4 C5 1.416(5) .
C16 H16 0.9300 .
C24 C25 1.362(5) .
C24 C23 1.373(5) .
C1 C2 1.390(4) .
C1 H1 0.9300 .
C10 C9 1.406(5) .
C10 H10 0.9300 .
C25 C26 1.374(4) .
C25 H25 0.9300 .
C28 C29 1.361(5) .
C28 C33 1.382(5) .
C19 H19 0.9300 .
C3 C2 1.359(5) .
C3 H3 0.9300 .
C26 H26 0.9300 .
C8 C9 1.352(5) .
C8 H8 0.9300 .
C22 C23 1.382(4) .
C22 H22 0.9300 .
C2 H2 0.9300 .
C9 H9 0.9300 .
C5 C6 1.335(6) .
C5 H5 0.9300 .
C33 C32 1.379(6) .
C33 H33 0.9300 .
C23 H23 0.9300 .
C6 H6 0.9300 .
C32 C31 1.353(7) .
C32 H32 0.9300 .
C29 C30 1.384(6) .
C29 H29 0.9300 .
C30 C31 1.347(6) .
C30 H30 0.9300 .
