#------------------------------------------------------------------------------
#$Date: 2016-02-20 02:53:41 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176768 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/59/2105946.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2105946
loop_
_publ_author_name
'Merkens, Carina'
'Truong, Khai-Nghi'
'Englert, Ulli'
_publ_section_title
;
 3-(4-Pyridyl)-acetylacetone -- a fully featured substituted pyridine and
 a flexible linker for complex materials
;
_journal_coeditor_code           BM5063
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              705
_journal_page_last               713
_journal_paper_doi               10.1107/S2052520614006210
_journal_volume                  70
_journal_year                    2014
_chemical_formula_moiety         'C30 H33 Br4 Cd2 N3 O6'
_chemical_formula_sum            'C30 H33 Br4 Cd2 N3 O6'
_chemical_formula_weight         1076.03
_chemical_name_common            2
_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_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                91.247(3)
_cell_angle_beta                 97.889(3)
_cell_angle_gamma                98.609(3)
_cell_formula_units_Z            2
_cell_length_a                   7.1262(9)
_cell_length_b                   15.519(2)
_cell_length_c                   16.597(2)
_cell_measurement_temperature    100(2)
_cell_volume                     1796.0(4)
_computing_cell_refinement       'Bruker SAINT 2009'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT 2009'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    SHELXS-97
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0836
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            7336
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.387
_diffrn_reflns_theta_min         1.240
_exptl_absorpt_coefficient_mu    5.677
_exptl_absorpt_correction_T_max  0.746
_exptl_absorpt_correction_T_min  0.522
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   TWINABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.990
_exptl_crystal_description       plate
_exptl_crystal_F_000             1036
_exptl_crystal_size_max          0.180
_exptl_crystal_size_mid          0.130
_exptl_crystal_size_min          0.040
_refine_diff_density_max         0.988
_refine_diff_density_min         -0.914
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.142
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     423
_refine_ls_number_reflns         7336
_refine_ls_number_restraints     11
_refine_ls_restrained_S_all      1.142
_refine_ls_R_factor_all          0.0782
_refine_ls_R_factor_gt           0.0561
_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)+(0.0199P)²+4.2083P]
 where P=(Fo²+2Fc²)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0942
_refine_ls_wR_factor_ref         0.1034
_reflns_number_gt                5914
_reflns_number_total             7336
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            bm5063sup1.cif
_cod_data_source_block           2
_cod_database_code               2105946
_cod_database_fobs_code          2105946
#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.
;
_shelx_estimated_absorpt_t_min   0.428
_shelx_estimated_absorpt_t_max   0.805
_shelxl_version_number           20.13
#END Tags that were not found in dictionaries
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Cd Cd1 0.79198(10) 0.62721(3) 0.25945(4) 0.01556(14) Uani d 1 . .
Cd Cd2 0.25939(10) 0.53220(3) 0.25449(4) 0.01486(14) Uani d 1 . .
Br Br1 0.60807(13) 0.53188(6) 0.36106(5) 0.0176(2) Uani d 1 . .
Br Br2 0.45375(13) 0.65869(5) 0.17413(5) 0.0179(2) Uani d 1 . .
Br Br3 -0.08678(13) 0.53698(6) 0.14634(5) 0.0177(2) Uani d 1 . .
Br Br4 0.14362(13) 0.64469(6) 0.35535(5) 0.0187(2) Uani d 1 . .
O O1 1.0537(13) 1.1873(5) 0.1974(5) 0.047(2) Uani d 1 . .
H H1D 1.156(11) 1.184(8) 0.229(7) 0.071 Uiso d 1 . .
O O2 1.3530(11) 1.1631(4) 0.2822(4) 0.041(2) Uani d 1 . .
O O3 -0.2057(10) 0.0872(4) 0.5199(5) 0.0393(19) Uani d 1 . .
O O4 -0.4688(11) 0.1715(4) 0.5194(4) 0.0326(18) Uani d 1 . .
H H4D -0.398(13) 0.133(5) 0.524(7) 0.049 Uiso d 1 . .
O O5 0.7676(10) 0.1848(4) -0.0443(4) 0.0276(16) Uani d 1 . .
H H5D 0.661(8) 0.151(6) -0.054(7) 0.041 Uiso d 1 . .
O O6 0.4521(11) 0.1011(4) -0.0559(5) 0.042(2) Uani d 1 . .
N N1 0.8823(11) 0.7761(4) 0.2520(5) 0.0215(18) Uani d 1 . .
N N2 0.1016(11) 0.4196(4) 0.3242(4) 0.0189(17) Uani d 1 . .
N N3 0.3468(10) 0.4274(4) 0.1689(4) 0.0149(16) Uani d 1 . .
C C1 0.7914(18) 1.0759(6) 0.1580(8) 0.053(4) Uani d 1 . .
H H1A 0.7006 1.1040 0.1847 0.079 Uiso calc 1 . .
H H1B 0.7572 1.0124 0.1586 0.079 Uiso calc 1 . .
H H1C 0.7866 1.0937 0.1015 0.079 Uiso calc 1 . .
C C2 0.9908(17) 1.1032(6) 0.2025(6) 0.037(3) Uani d 1 . .
C C3 1.0967(16) 1.0481(6) 0.2453(6) 0.030(2) Uani d 1 . .
C C4 1.2892(16) 1.0843(6) 0.2844(6) 0.029(2) Uani d 1 . .
C C5 1.4084(15) 1.0280(6) 0.3344(6) 0.038(3) Uani d 1 . .
H H5A 1.4370 0.9813 0.2994 0.056 Uiso calc 1 . .
H H5B 1.3379 1.0023 0.3770 0.056 Uiso calc 1 . .
H H5C 1.5286 1.0633 0.3596 0.056 Uiso calc 1 . .
C C6 1.0238(14) 0.9527(5) 0.2482(5) 0.0212(18) Uani d 1 . .
C C7 1.1014(16) 0.8911(6) 0.2087(6) 0.034(3) Uani d 1 . .
H H7 1.2034 0.9084 0.1784 0.040 Uiso calc 1 . .
C C8 1.0298(16) 0.8030(6) 0.2134(6) 0.032(2) Uani d 1 . .
H H8 1.0889 0.7608 0.1880 0.038 Uiso calc 1 . .
C C9 0.8082(14) 0.8368(6) 0.2889(7) 0.033(2) Uani d 1 . .
H H9 0.7025 0.8183 0.3169 0.039 Uiso calc 1 . .
C C10 0.8731(14) 0.9235(6) 0.2895(7) 0.031(2) Uani d 1 . .
H H10 0.8153 0.9637 0.3181 0.037 Uiso calc 1 . .
C C11 0.0715(15) 0.1332(7) 0.4622(8) 0.043(3) Uani d 1 . .
H H11A 0.1703 0.1630 0.5048 0.064 Uiso calc 1 . .
H H11B 0.0929 0.1565 0.4093 0.064 Uiso calc 1 . .
H H11C 0.0782 0.0705 0.4610 0.064 Uiso calc 1 . .
C C12 -0.1170(16) 0.1471(6) 0.4795(7) 0.033(3) Uani d 1 . .
C C13 -0.1977(14) 0.2205(5) 0.4578(5) 0.022(2) Uani d 1 . .
C C14 -0.3749(14) 0.2287(6) 0.4788(6) 0.022(2) Uani d 1 . .
C C15 -0.4769(13) 0.3058(5) 0.4583(6) 0.022(2) Uani d 1 . .
H H15A -0.5735 0.2905 0.4102 0.033 Uiso calc 1 . .
H H15B -0.3837 0.3556 0.4471 0.033 Uiso calc 1 . .
H H15C -0.5396 0.3211 0.5044 0.033 Uiso calc 1 . .
C C16 -0.0932(13) 0.2901(5) 0.4113(5) 0.0155(19) Uani d 1 . .
C C17 -0.1302(14) 0.2923(6) 0.3276(5) 0.024(2) Uani d 1 . .
H H17 -0.2247 0.2496 0.2976 0.029 Uiso calc 1 . .
C C18 -0.0297(14) 0.3568(6) 0.2879(6) 0.028(2) Uani d 1 . .
H H18 -0.0568 0.3560 0.2302 0.034 Uiso calc 1 . .
C C19 0.1390(12) 0.4175(6) 0.4061(5) 0.018(2) Uani d 1 . .
H H19 0.2369 0.4603 0.4341 0.022 Uiso calc 1 . .
C C20 0.0430(13) 0.3568(6) 0.4512(5) 0.021(2) Uani d 1 . .
H H20 0.0692 0.3603 0.5090 0.025 Uiso calc 1 . .
C C21 0.8654(14) 0.3226(6) 0.0267(6) 0.026(2) Uani d 1 . .
H H21A 0.9619 0.3053 0.0686 0.039 Uiso calc 1 . .
H H21B 0.8044 0.3683 0.0494 0.039 Uiso calc 1 . .
H H21C 0.9273 0.3448 -0.0195 0.039 Uiso calc 1 . .
C C22 0.7181(14) 0.2459(5) -0.0012(5) 0.019(2) Uani d 1 . .
C C23 0.5285(13) 0.2351(5) 0.0194(5) 0.0155(19) Uani d 1 . .
C C24 0.3999(15) 0.1602(6) -0.0107(7) 0.033(3) Uani d 1 . .
C C25A 0.187(3) 0.159(3) -0.008(3) 0.036(10) Uiso d 0.40(7) A 1
H H25A 0.1164 0.1021 -0.0281 0.053 Uiso calc 0.40(7) A 1
H H25B 0.1417 0.2046 -0.0422 0.053 Uiso calc 0.40(7) A 1
H H25C 0.1666 0.1703 0.0483 0.053 Uiso calc 0.40(7) A 1
C C25B 0.205(3) 0.1342(17) 0.0178(17) 0.029(6) Uiso d 0.60(7) A 2
H H25D 0.1050 0.1219 -0.0296 0.043 Uiso calc 0.60(7) A 2
H H25E 0.1768 0.1821 0.0515 0.043 Uiso calc 0.60(7) A 2
H H25F 0.2071 0.0820 0.0499 0.043 Uiso calc 0.60(7) A 2
C C26 0.4665(12) 0.3030(6) 0.0703(6) 0.018(2) Uani d 1 . .
C C27 0.4847(14) 0.2987(6) 0.1546(5) 0.023(2) Uani d 1 . .
H H27 0.5378 0.2520 0.1804 0.028 Uiso calc 1 . .
C C28 0.4274(14) 0.3606(6) 0.2001(6) 0.025(2) Uani d 1 . .
H H28 0.4453 0.3564 0.2576 0.030 Uiso calc 1 . .
C C29 0.3335(13) 0.4330(6) 0.0888(6) 0.020(2) Uani d 1 . .
H H29 0.2820 0.4811 0.0651 0.024 Uiso calc 1 . .
C C30 0.3894(13) 0.3737(6) 0.0376(5) 0.021(2) Uani d 1 . .
H H30 0.3753 0.3811 -0.0194 0.025 Uiso calc 1 . .
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'
Br Br -0.2901 2.4595 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
N1 Cd1 Br1 . . 132.91(18)
N1 Cd1 Br3 . 1_655 112.59(18)
Br1 Cd1 Br3 . 1_655 114.44(3)
N1 Cd1 Br2 . . 83.7(2)
Br1 Cd1 Br2 . . 91.20(4)
Br3 Cd1 Br2 1_655 . 99.21(4)
N1 Cd1 Br4 . 1_655 81.2(2)
Br1 Cd1 Br4 . 1_655 95.13(4)
Br3 Cd1 Br4 1_655 1_655 91.55(4)
Br2 Cd1 Br4 . 1_655 163.98(3)
N3 Cd2 N2 . . 89.4(2)
N3 Cd2 Br4 . . 176.55(16)
N2 Cd2 Br4 . . 87.25(18)
N3 Cd2 Br2 . . 88.95(16)
N2 Cd2 Br2 . . 177.7(2)
Br4 Cd2 Br2 . . 94.40(3)
N3 Cd2 Br1 . . 89.62(19)
N2 Cd2 Br1 . . 91.23(19)
Br4 Cd2 Br1 . . 91.39(3)
Br2 Cd2 Br1 . . 87.13(3)
N3 Cd2 Br3 . . 90.89(19)
N2 Cd2 Br3 . . 90.18(19)
Br4 Cd2 Br3 . . 88.19(3)
Br2 Cd2 Br3 . . 91.47(3)
Br1 Cd2 Br3 . . 178.51(3)
Cd1 Br1 Cd2 . . 89.36(3)
Cd2 Br2 Cd1 . . 89.86(3)
Cd1 Br3 Cd2 1_455 . 88.98(3)
Cd2 Br4 Cd1 . 1_455 90.13(3)
C2 O1 H1D . . 92(9)
C14 O4 H4D . . 102(8)
C22 O5 H5D . . 100(7)
C8 N1 C9 . . 117.1(8)
C8 N1 Cd1 . . 117.7(6)
C9 N1 Cd1 . . 125.0(6)
C18 N2 C19 . . 116.0(7)
C18 N2 Cd2 . . 123.4(6)
C19 N2 Cd2 . . 120.6(5)
C29 N3 C28 . . 115.9(8)
C29 N3 Cd2 . . 123.3(6)
C28 N3 Cd2 . . 120.6(6)
C2 C1 H1A . . 109.5
C2 C1 H1B . . 109.5
H1A C1 H1B . . 109.5
C2 C1 H1C . . 109.5
H1A C1 H1C . . 109.5
H1B C1 H1C . . 109.5
O1 C2 C3 . . 122.9(10)
O1 C2 C1 . . 112.7(9)
C3 C2 C1 . . 124.4(9)
C2 C3 C4 . . 117.7(9)
C2 C3 C6 . . 121.6(10)
C4 C3 C6 . . 120.5(9)
O2 C4 C3 . . 121.5(10)
O2 C4 C5 . . 118.2(10)
C3 C4 C5 . . 120.0(9)
C4 C5 H5A . . 109.5
C4 C5 H5B . . 109.5
H5A C5 H5B . . 109.5
C4 C5 H5C . . 109.5
H5A C5 H5C . . 109.5
H5B C5 H5C . . 109.5
C7 C6 C10 . . 117.2(8)
C7 C6 C3 . . 121.6(9)
C10 C6 C3 . . 121.2(8)
C6 C7 C8 . . 119.7(9)
C6 C7 H7 . . 120.1
C8 C7 H7 . . 120.1
N1 C8 C7 . . 122.2(9)
N1 C8 H8 . . 118.9
C7 C8 H8 . . 118.9
N1 C9 C10 . . 124.3(10)
N1 C9 H9 . . 117.8
C10 C9 H9 . . 117.8
C9 C10 C6 . . 119.4(8)
C9 C10 H10 . . 120.3
C6 C10 H10 . . 120.3
C12 C11 H11A . . 109.5
C12 C11 H11B . . 109.5
H11A C11 H11B . . 109.5
C12 C11 H11C . . 109.5
H11A C11 H11C . . 109.5
H11B C11 H11C . . 109.5
O3 C12 C13 . . 120.5(10)
O3 C12 C11 . . 115.9(9)
C13 C12 C11 . . 123.6(9)
C14 C13 C12 . . 119.2(9)
C14 C13 C16 . . 120.6(8)
C12 C13 C16 . . 120.2(9)
O4 C14 C13 . . 123.0(9)
O4 C14 C15 . . 113.2(8)
C13 C14 C15 . . 123.8(8)
C14 C15 H15A . . 109.5
C14 C15 H15B . . 109.5
H15A C15 H15B . . 109.5
C14 C15 H15C . . 109.5
H15A C15 H15C . . 109.5
H15B C15 H15C . . 109.5
C17 C16 C20 . . 116.7(8)
C17 C16 C13 . . 121.9(8)
C20 C16 C13 . . 121.4(8)
C18 C17 C16 . . 119.7(8)
C18 C17 H17 . . 120.1
C16 C17 H17 . . 120.1
N2 C18 C17 . . 124.6(9)
N2 C18 H18 . . 117.7
C17 C18 H18 . . 117.7
N2 C19 C20 . . 123.5(8)
N2 C19 H19 . . 118.2
C20 C19 H19 . . 118.2
C19 C20 C16 . . 119.4(8)
C19 C20 H20 . . 120.3
C16 C20 H20 . . 120.3
C22 C21 H21A . . 109.5
C22 C21 H21B . . 109.5
H21A C21 H21B . . 109.5
C22 C21 H21C . . 109.5
H21A C21 H21C . . 109.5
H21B C21 H21C . . 109.5
O5 C22 C23 . . 118.8(8)
O5 C22 C21 . . 117.7(8)
C23 C22 C21 . . 123.4(8)
C24 C23 C22 . . 118.8(8)
C24 C23 C26 . . 120.6(8)
C22 C23 C26 . . 120.6(7)
O6 C24 C23 . . 121.0(9)
O6 C24 C25A . . 118.6(13)
C23 C24 C25A . . 118.6(15)
O6 C24 C25B . . 114.8(10)
C23 C24 C25B . . 123.4(10)
C24 C25A H25A . . 109.5
C24 C25A H25B . . 109.5
H25A C25A H25B . . 109.5
C24 C25A H25C . . 109.5
H25A C25A H25C . . 109.5
H25B C25A H25C . . 109.5
C24 C25B H25D . . 109.5
C24 C25B H25E . . 109.5
H25D C25B H25E . . 109.5
C24 C25B H25F . . 109.5
H25D C25B H25F . . 109.5
H25E C25B H25F . . 109.5
C30 C26 C27 . . 116.1(8)
C30 C26 C23 . . 122.9(8)
C27 C26 C23 . . 120.9(8)
C28 C27 C26 . . 120.4(9)
C28 C27 H27 . . 119.8
C26 C27 H27 . . 119.8
N3 C28 C27 . . 123.8(9)
N3 C28 H28 . . 118.1
C27 C28 H28 . . 118.1
N3 C29 C30 . . 124.4(8)
N3 C29 H29 . . 117.8
C30 C29 H29 . . 117.8
C29 C30 C26 . . 119.3(8)
C29 C30 H30 . . 120.4
C26 C30 H30 . . 120.4
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
Cd1 N1 . 2.315(7)
Cd1 Br1 . 2.6240(11)
Cd1 Br3 1_655 2.6314(11)
Cd1 Br2 . 2.7384(12)
Cd1 Br4 1_655 2.7512(12)
Cd2 N3 . 2.345(7)
Cd2 N2 . 2.349(7)
Cd2 Br4 . 2.6858(11)
Cd2 Br2 . 2.7124(10)
Cd2 Br1 . 2.8461(12)
Cd2 Br3 . 2.8562(12)
Br3 Cd1 1_455 2.6314(11)
Br4 Cd1 1_455 2.7512(12)
O1 C2 . 1.323(12)
O1 H1D . 0.84(2)
O2 C4 . 1.242(11)
O3 C12 . 1.297(11)
O4 C14 . 1.289(11)
O4 H4D . 0.84(2)
O5 C22 . 1.296(10)
O5 H5D . 0.85(2)
O6 C24 . 1.301(11)
N1 C8 . 1.324(12)
N1 C9 . 1.325(11)
N2 C18 . 1.317(11)
N2 C19 . 1.351(11)
N3 C29 . 1.325(11)
N3 C28 . 1.339(11)
C1 C2 . 1.504(15)
C1 H1A . 0.9800
C1 H1B . 0.9800
C1 H1C . 0.9800
C2 C3 . 1.371(14)
C3 C4 . 1.458(15)
C3 C6 . 1.497(11)
C4 C5 . 1.495(14)
C5 H5A . 0.9800
C5 H5B . 0.9800
C5 H5C . 0.9800
C6 C7 . 1.371(12)
C6 C10 . 1.378(13)
C7 C8 . 1.394(12)
C7 H7 . 0.9500
C8 H8 . 0.9500
C9 C10 . 1.355(12)
C9 H9 . 0.9500
C10 H10 . 0.9500
C11 C12 . 1.457(14)
C11 H11A . 0.9800
C11 H11B . 0.9800
C11 H11C . 0.9800
C12 C13 . 1.383(13)
C13 C14 . 1.378(13)
C13 C16 . 1.507(12)
C14 C15 . 1.512(12)
C15 H15A . 0.9800
C15 H15B . 0.9800
C15 H15C . 0.9800
C16 C17 . 1.379(12)
C16 C20 . 1.396(12)
C17 C18 . 1.376(12)
C17 H17 . 0.9500
C18 H18 . 0.9500
C19 C20 . 1.376(11)
C19 H19 . 0.9500
C20 H20 . 0.9500
C21 C22 . 1.484(12)
C21 H21A . 0.9800
C21 H21B . 0.9800
C21 H21C . 0.9800
C22 C23 . 1.425(12)
C23 C24 . 1.403(12)
C23 C26 . 1.491(11)
C24 C25A . 1.520(19)
C24 C25B . 1.531(16)
C25A H25A . 0.9800
C25A H25B . 0.9800
C25A H25C . 0.9800
C25B H25D . 0.9800
C25B H25E . 0.9800
C25B H25F . 0.9800
C26 C30 . 1.387(12)
C26 C27 . 1.391(12)
C27 C28 . 1.353(12)
C27 H27 . 0.9500
C28 H28 . 0.9500
C29 C30 . 1.376(12)
C29 H29 . 0.9500
C30 H30 . 0.9500
