#------------------------------------------------------------------------------
#$Date: 2016-02-20 02:53:41 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176768 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/59/2105945.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_2105945
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 Cd2 Cl4 N3 O6'
_chemical_formula_sum            'C30 H33 Cd2 Cl4 N3 O6'
_chemical_formula_weight         898.21
_chemical_name_common            1
_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
_atom_sites_solution_primary     heavy
_audit_creation_method           SHELXL-2013
_cell_angle_alpha                63.4935(11)
_cell_angle_beta                 84.0016(13)
_cell_angle_gamma                81.8575(12)
_cell_formula_units_Z            2
_cell_length_a                   9.8304(8)
_cell_length_b                   13.7388(11)
_cell_length_c                   14.8816(12)
_cell_measurement_reflns_used    3427
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.34
_cell_measurement_theta_min      2.50
_cell_volume                     1778.5(2)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker SAMRT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    SHELXS-97
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.970
_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  0.0479
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            26747
_diffrn_reflns_theta_full        28.500
_diffrn_reflns_theta_max         29.905
_diffrn_reflns_theta_min         2.095
_exptl_absorpt_coefficient_mu    1.540
_exptl_absorpt_correction_T_max  0.7459
_exptl_absorpt_correction_T_min  0.6318
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.677
_exptl_crystal_description       needle
_exptl_crystal_F_000             892
_exptl_crystal_size_max          0.290
_exptl_crystal_size_mid          0.080
_exptl_crystal_size_min          0.060
_refine_diff_density_max         0.737
_refine_diff_density_min         -0.544
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     421
_refine_ls_number_reflns         9968
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.031
_refine_ls_R_factor_all          0.0521
_refine_ls_R_factor_gt           0.0370
_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)+(0.0241P)²]
 where P=(Fo²+2Fc²)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0719
_refine_ls_wR_factor_ref         0.0786
_reflns_number_gt                7972
_reflns_number_total             9968
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            bm5063sup1.cif
_cod_data_source_block           1
_cod_database_code               2105945
_cod_database_fobs_code          2105945
#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   0.664
_shelx_estimated_absorpt_t_max   0.913
_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
Cd Cd1 0.50443(2) 0.05368(2) 0.35685(2) 0.01277(5) Uani d 1
Cd Cd2 0.15023(2) 0.07845(2) 0.49986(2) 0.01286(5) Uani d 1
Cl Cl1 0.35930(7) -0.08333(5) 0.51401(5) 0.01328(13) Uani d 1
Cl Cl2 0.30590(7) 0.20222(5) 0.35240(5) 0.01551(14) Uani d 1
Cl Cl3 0.28795(7) 0.08664(6) 0.63691(5) 0.01653(14) Uani d 1
Cl Cl4 0.01156(7) 0.05557(5) 0.36904(5) 0.01549(14) Uani d 1
O O1 0.1299(2) -0.10925(19) -0.06145(17) 0.0307(6) Uani d 1
O O2 -0.0320(3) -0.1808(2) 0.08470(18) 0.0306(6) Uani d 1
H H2D 0.009(3) -0.162(3) 0.0278(17) 0.037 Uiso d 1
O O3 0.8559(3) 0.5588(2) -0.18904(19) 0.0452(7) Uani d 1
H H3D 0.868(4) 0.600(3) -0.160(3) 0.054 Uiso d 1
O O4 0.8571(3) 0.6459(2) -0.0755(2) 0.0465(7) Uani d 1
O O5 -0.5520(2) 0.55950(18) 0.32619(19) 0.0301(6) Uani d 1
H H5D -0.533(4) 0.601(2) 0.351(2) 0.036 Uiso d 1
O O6 -0.4417(2) 0.66111(17) 0.39087(18) 0.0283(5) Uani d 1
N N1 0.3871(2) 0.00479(19) 0.25611(17) 0.0143(5) Uani d 1
N N2 0.6033(3) 0.19701(19) 0.21866(18) 0.0177(5) Uani d 1
N N3 -0.0091(2) 0.23090(18) 0.48202(17) 0.0147(5) Uani d 1
C C1 -0.0101(4) -0.1713(3) 0.2366(3) 0.0330(8) Uani d 1
H H1A -0.0990 -0.2010 0.2512 0.049 Uiso calc 1
H H1B -0.0205 -0.1033 0.2441 0.049 Uiso calc 1
H H1C 0.0569 -0.2245 0.2835 0.049 Uiso calc 1
C C2 0.0389(3) -0.1487(3) 0.1319(2) 0.0226(7) Uani d 1
C C3 0.1587(3) -0.0961(2) 0.0873(2) 0.0185(6) Uani d 1
C C4 0.1994(3) -0.0771(3) -0.0116(2) 0.0230(7) Uani d 1
C C5 0.3214(4) -0.0197(3) -0.0668(3) 0.0337(8) Uani d 1
H H5A 0.3186 -0.0006 -0.1384 0.050 Uiso calc 1
H H5B 0.4057 -0.0678 -0.0400 0.050 Uiso calc 1
H H5C 0.3203 0.0472 -0.0582 0.050 Uiso calc 1
C C6 0.2393(3) -0.0607(2) 0.1451(2) 0.0164(6) Uani d 1
C C7 0.2049(3) 0.0395(3) 0.1478(2) 0.0241(7) Uani d 1
H H7 0.1303 0.0881 0.1111 0.029 Uiso calc 1
C C8 0.2800(3) 0.0681(2) 0.2044(2) 0.0206(7) Uani d 1
H H8 0.2537 0.1364 0.2064 0.025 Uiso calc 1
C C9 0.4215(3) -0.0925(2) 0.2543(2) 0.0194(6) Uani d 1
H H9 0.4976 -0.1388 0.2909 0.023 Uiso calc 1
C C10 0.3497(3) -0.1273(2) 0.2007(2) 0.0220(7) Uani d 1
H H10 0.3760 -0.1972 0.2020 0.026 Uiso calc 1
C C11 0.7779(4) 0.3892(3) -0.1410(3) 0.0438(10) Uani d 1
H H11A 0.6994 0.4150 -0.1843 0.066 Uiso calc 1
H H11B 0.7577 0.3235 -0.0799 0.066 Uiso calc 1
H H11C 0.8597 0.3717 -0.1770 0.066 Uiso calc 1
C C12 0.8038(4) 0.4762(3) -0.1133(3) 0.0328(8) Uani d 1
C C13 0.7788(3) 0.4731(3) -0.0195(2) 0.0255(7) Uani d 1
C C14 0.8102(4) 0.5627(3) -0.0036(3) 0.0370(9) Uani d 1
C C15 0.7880(5) 0.5631(3) 0.0974(3) 0.0508(12) Uani d 1
H H15A 0.8072 0.6338 0.0917 0.076 Uiso calc 1
H H15B 0.8498 0.5045 0.1448 0.076 Uiso calc 1
H H15C 0.6923 0.5514 0.1217 0.076 Uiso calc 1
C C16 0.7194(3) 0.3772(2) 0.0642(2) 0.0235(7) Uani d 1
C C17 0.7965(3) 0.3002(3) 0.1439(2) 0.0252(7) Uani d 1
H H17 0.8902 0.3077 0.1472 0.030 Uiso calc 1
C C18 0.7346(3) 0.2121(3) 0.2185(2) 0.0221(7) Uani d 1
H H18 0.7886 0.1600 0.2722 0.027 Uiso calc 1
C C19 0.5291(3) 0.2716(3) 0.1418(2) 0.0245(7) Uani d 1
H H19 0.4351 0.2628 0.1412 0.029 Uiso calc 1
C C20 0.5826(3) 0.3599(3) 0.0642(2) 0.0283(8) Uani d 1
H H20 0.5267 0.4092 0.0106 0.034 Uiso calc 1
C C21 -0.2290(3) 0.6006(3) 0.4710(3) 0.0273(7) Uani d 1
H H21A -0.2407 0.6760 0.4631 0.041 Uiso calc 1
H H21B -0.1388 0.5860 0.4420 0.041 Uiso calc 1
H H21C -0.2352 0.5499 0.5426 0.041 Uiso calc 1
C C22 -0.3392(3) 0.5852(3) 0.4182(2) 0.0236(7) Uani d 1
C C23 -0.3380(3) 0.4930(2) 0.4003(2) 0.0182(6) Uani d 1
C C24 -0.4495(3) 0.4833(2) 0.3537(2) 0.0232(7) Uani d 1
C C25 -0.4587(4) 0.3874(3) 0.3338(3) 0.0342(9) Uani d 1
H H25A -0.4937 0.3280 0.3948 0.051 Uiso calc 1
H H25B -0.3672 0.3624 0.3140 0.051 Uiso calc 1
H H25C -0.5213 0.4085 0.2794 0.051 Uiso calc 1
C C26 -0.2210(3) 0.4037(2) 0.4311(2) 0.0169(6) Uani d 1
C C27 -0.2391(3) 0.3009(2) 0.5084(2) 0.0186(6) Uani d 1
H H27 -0.3248 0.2875 0.5454 0.022 Uiso calc 1
C C28 -0.1315(3) 0.2180(2) 0.5311(2) 0.0165(6) Uani d 1
H H28 -0.1458 0.1483 0.5845 0.020 Uiso calc 1
C C29 0.0094(3) 0.3313(2) 0.4081(2) 0.0197(6) Uani d 1
H H29 0.0965 0.3430 0.3731 0.024 Uiso calc 1
C C30 -0.0933(3) 0.4178(2) 0.3811(2) 0.0195(6) Uani d 1
H H30 -0.0761 0.4870 0.3282 0.023 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'
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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
N1 Cd1 N2 . . 93.94(8)
N1 Cd1 Cl3 . 2_656 91.38(6)
N2 Cd1 Cl3 . 2_656 92.61(6)
N1 Cd1 Cl2 . . 91.88(6)
N2 Cd1 Cl2 . . 85.55(6)
Cl3 Cd1 Cl2 2_656 . 176.36(2)
N1 Cd1 Cl1 . 2_656 173.05(6)
N2 Cd1 Cl1 . 2_656 91.79(6)
Cl3 Cd1 Cl1 2_656 2_656 84.42(2)
Cl2 Cd1 Cl1 . 2_656 92.48(2)
N1 Cd1 Cl1 . . 86.84(6)
N2 Cd1 Cl1 . . 170.48(6)
Cl3 Cd1 Cl1 2_656 . 96.86(2)
Cl2 Cd1 Cl1 . . 84.94(2)
Cl1 Cd1 Cl1 2_656 . 88.16(2)
N3 Cd2 Cl4 . 2_556 91.69(6)
N3 Cd2 Cl2 . . 91.04(6)
Cl4 Cd2 Cl2 2_556 . 172.39(2)
N3 Cd2 Cl3 . . 94.90(6)
Cl4 Cd2 Cl3 2_556 . 93.40(2)
Cl2 Cd2 Cl3 . . 93.45(2)
N3 Cd2 Cl4 . . 87.86(6)
Cl4 Cd2 Cl4 2_556 . 83.73(2)
Cl2 Cd2 Cl4 . . 89.28(2)
Cl3 Cd2 Cl4 . . 176.08(2)
N3 Cd2 Cl1 . . 173.39(6)
Cl4 Cd2 Cl1 2_556 . 94.23(2)
Cl2 Cd2 Cl1 . . 83.46(2)
Cl3 Cd2 Cl1 . . 81.83(2)
Cl4 Cd2 Cl1 . . 95.70(2)
Cd1 Cl1 Cd1 2_656 . 91.84(2)
Cd1 Cl1 Cd2 2_656 . 94.11(2)
Cd1 Cl1 Cd2 . . 92.96(2)
Cd2 Cl2 Cd1 . . 98.61(2)
Cd1 Cl3 Cd2 2_656 . 99.36(2)
Cd2 Cl4 Cd2 2_556 . 96.27(2)
C2 O2 H2D . . 105(3)
C12 O3 H3D . . 101(3)
C24 O5 H5D . . 102(2)
C8 N1 C9 . . 117.8(2)
C8 N1 Cd1 . . 121.87(19)
C9 N1 Cd1 . . 120.23(19)
C18 N2 C19 . . 117.3(3)
C18 N2 Cd1 . . 120.26(19)
C19 N2 Cd1 . . 122.2(2)
C28 N3 C29 . . 117.1(3)
C28 N3 Cd2 . . 120.99(18)
C29 N3 Cd2 . . 120.74(19)
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
O2 C2 C3 . . 121.7(3)
O2 C2 C1 . . 116.5(3)
C3 C2 C1 . . 121.8(3)
C4 C3 C2 . . 119.1(3)
C4 C3 C6 . . 120.8(3)
C2 C3 C6 . . 120.1(3)
O1 C4 C3 . . 120.7(3)
O1 C4 C5 . . 115.8(3)
C3 C4 C5 . . 123.5(3)
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 . . 116.8(3)
C7 C6 C3 . . 121.4(3)
C10 C6 C3 . . 121.8(3)
C8 C7 C6 . . 119.6(3)
C8 C7 H7 . . 120.2
C6 C7 H7 . . 120.2
N1 C8 C7 . . 123.3(3)
N1 C8 H8 . . 118.4
C7 C8 H8 . . 118.4
N1 C9 C10 . . 122.1(3)
N1 C9 H9 . . 118.9
C10 C9 H9 . . 118.9
C9 C10 C6 . . 120.4(3)
C9 C10 H10 . . 119.8
C6 C10 H10 . . 119.8
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 . . 122.1(3)
O3 C12 C11 . . 112.5(3)
C13 C12 C11 . . 125.4(3)
C12 C13 C14 . . 119.2(3)
C12 C13 C16 . . 119.9(3)
C14 C13 C16 . . 120.9(3)
O4 C14 C13 . . 120.9(4)
O4 C14 C15 . . 117.4(3)
C13 C14 C15 . . 121.7(3)
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 . . 117.0(3)
C17 C16 C13 . . 122.4(3)
C20 C16 C13 . . 120.6(3)
C18 C17 C16 . . 119.2(3)
C18 C17 H17 . . 120.4
C16 C17 H17 . . 120.4
N2 C18 C17 . . 123.5(3)
N2 C18 H18 . . 118.3
C17 C18 H18 . . 118.3
N2 C19 C20 . . 123.1(3)
N2 C19 H19 . . 118.5
C20 C19 H19 . . 118.5
C19 C20 C16 . . 120.0(3)
C19 C20 H20 . . 120.0
C16 C20 H20 . . 120.0
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
O6 C22 C23 . . 120.0(3)
O6 C22 C21 . . 116.4(3)
C23 C22 C21 . . 123.5(3)
C22 C23 C24 . . 119.5(3)
C22 C23 C26 . . 121.2(3)
C24 C23 C26 . . 119.3(3)
O5 C24 C23 . . 120.5(3)
O5 C24 C25 . . 116.3(3)
C23 C24 C25 . . 123.3(3)
C24 C25 H25A . . 109.5
C24 C25 H25B . . 109.5
H25A C25 H25B . . 109.5
C24 C25 H25C . . 109.5
H25A C25 H25C . . 109.5
H25B C25 H25C . . 109.5
C30 C26 C27 . . 117.1(3)
C30 C26 C23 . . 122.0(3)
C27 C26 C23 . . 120.8(3)
C28 C27 C26 . . 119.5(3)
C28 C27 H27 . . 120.2
C26 C27 H27 . . 120.2
N3 C28 C27 . . 123.4(3)
N3 C28 H28 . . 118.3
C27 C28 H28 . . 118.3
N3 C29 C30 . . 122.7(3)
N3 C29 H29 . . 118.6
C30 C29 H29 . . 118.6
C26 C30 C29 . . 120.1(3)
C26 C30 H30 . . 119.9
C29 C30 H30 . . 119.9
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
Cd1 N1 . 2.347(2)
Cd1 N2 . 2.358(2)
Cd1 Cl3 2_656 2.5800(7)
Cd1 Cl2 . 2.5992(7)
Cd1 Cl1 2_656 2.6542(7)
Cd1 Cl1 . 2.6800(7)
Cd2 N3 . 2.360(2)
Cd2 Cl4 2_556 2.5885(7)
Cd2 Cl2 . 2.5987(7)
Cd2 Cl3 . 2.6135(7)
Cd2 Cl4 . 2.6400(7)
Cd2 Cl1 . 2.7544(7)
Cl1 Cd1 2_656 2.6542(7)
Cl3 Cd1 2_656 2.5800(7)
Cl4 Cd2 2_556 2.5885(7)
O1 C4 . 1.302(4)
O2 C2 . 1.281(4)
O2 H2D . 0.841(18)
O3 C12 . 1.313(4)
O3 H3D . 0.880(18)
O4 C14 . 1.272(4)
O5 C24 . 1.297(3)
O5 H5D . 0.859(18)
O6 C22 . 1.295(4)
N1 C8 . 1.331(4)
N1 C9 . 1.343(3)
N2 C18 . 1.336(4)
N2 C19 . 1.344(4)
N3 C28 . 1.332(4)
N3 C29 . 1.349(3)
C1 C2 . 1.486(4)
C1 H1A . 0.9800
C1 H1B . 0.9800
C1 H1C . 0.9800
C2 C3 . 1.414(4)
C3 C4 . 1.400(4)
C3 C6 . 1.493(4)
C4 C5 . 1.490(5)
C5 H5A . 0.9800
C5 H5B . 0.9800
C5 H5C . 0.9800
C6 C7 . 1.387(4)
C6 C10 . 1.390(4)
C7 C8 . 1.384(4)
C7 H7 . 0.9500
C8 H8 . 0.9500
C9 C10 . 1.385(4)
C9 H9 . 0.9500
C10 H10 . 0.9500
C11 C12 . 1.487(5)
C11 H11A . 0.9800
C11 H11B . 0.9800
C11 H11C . 0.9800
C12 C13 . 1.375(5)
C13 C14 . 1.432(5)
C13 C16 . 1.493(4)
C14 C15 . 1.498(5)
C15 H15A . 0.9800
C15 H15B . 0.9800
C15 H15C . 0.9800
C16 C17 . 1.394(4)
C16 C20 . 1.398(4)
C17 C18 . 1.390(4)
C17 H17 . 0.9500
C18 H18 . 0.9500
C19 C20 . 1.373(4)
C19 H19 . 0.9500
C20 H20 . 0.9500
C21 C22 . 1.493(4)
C21 H21A . 0.9800
C21 H21B . 0.9800
C21 H21C . 0.9800
C22 C23 . 1.405(4)
C23 C24 . 1.408(4)
C23 C26 . 1.499(4)
C24 C25 . 1.491(4)
C25 H25A . 0.9800
C25 H25B . 0.9800
C25 H25C . 0.9800
C26 C30 . 1.382(4)
C26 C27 . 1.389(4)
C27 C28 . 1.386(4)
C27 H27 . 0.9500
C28 H28 . 0.9500
C29 C30 . 1.382(4)
C29 H29 . 0.9500
C30 H30 . 0.9500
