#------------------------------------------------------------------------------
#$Date: 2016-03-24 03:22:12 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179627 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/91/4509105.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the Crystal Eye server at
# http://wwmm.ch.cam.ac.uk/crystaleye/, created by Nick Day at the
# Peter Murray-Rust laboratory.
#
# 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_4509105
loop_
_publ_author_name
'Xu, Hai-Bing'
'Zhang, Li-Yi'
'Chen, Xiao-Ming'
'Li, Xiu-Ling'
'Chen, Zhong-Ning'
_publ_section_title
;
 Modulation of Pt → Ln Energy Transfer in PtLn2(Ln = Nd, Er,
 Yb) Complexes with
 2,2′-Bipyridyl/2,2′:6′2′′-Terpyridyl
 Ethynyl Ligands
;
_journal_issue                   1
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              569
_journal_paper_doi               10.1021/cg800866r
_journal_volume                  9
_journal_year                    2009
_chemical_formula_sum            'C61 H52 Cl6 N6 Pt'
_chemical_formula_weight         1276.88
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/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                 104.563(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   19.445(6)
_cell_length_b                   18.608(6)
_cell_length_c                   16.675(5)
_cell_measurement_reflns_used    7964
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.4835
_cell_measurement_theta_min      2.2136
_cell_volume                     5840(3)
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_collection       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_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  'RIGAKU MERCURY CCD/AFC'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Rotating Anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0270
_diffrn_reflns_av_sigmaI/netI    0.0257
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            21993
_diffrn_reflns_theta_full        27.46
_diffrn_reflns_theta_max         27.46
_diffrn_reflns_theta_min         2.71
_exptl_absorpt_coefficient_mu    2.721
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.5819
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.452
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             2560
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.50
_exptl_crystal_size_min          0.15
_refine_diff_density_max         2.253
_refine_diff_density_min         -1.207
_refine_diff_density_rms         0.091
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     368
_refine_ls_number_reflns         6663
_refine_ls_number_restraints     136
_refine_ls_restrained_S_all      1.069
_refine_ls_R_factor_all          0.0417
_refine_ls_R_factor_gt           0.0372
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0730P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0976
_refine_ls_wR_factor_ref         0.1019
_reflns_number_gt                5992
_reflns_number_total             6663
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg800866rsup1.cif
_cod_data_source_block           compound_9
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from
2011-04-26.

'_exptl_absorpt_correction_type' value 'Multi-scan'
changed to 'multi-scan' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               4509105
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -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_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt Pt 0.0000 0.425456(8) 0.2500 0.04515(8) Uani 1 2 d S . .
N1 N 0.03244(16) 0.33963(15) 0.19044(18) 0.0508(6) Uani 1 1 d . . .
N2 N 0.1726(2) 1.0165(2) -0.1359(3) 0.0836(12) Uani 1 1 d . . .
N3 N 0.2704(3) 1.0495(3) -0.2857(3) 0.0899(13) Uani 1 1 d . . .
C1 C 0.01827(19) 0.27357(19) 0.2165(2) 0.0537(7) Uani 1 1 d U . .
C2 C 0.0388(2) 0.2125(2) 0.1794(3) 0.0669(10) Uani 1 1 d U . .
H2A H 0.0293 0.1673 0.1981 0.080 Uiso 1 1 calc R . .
C3 C 0.0722(2) 0.2169(2) 0.1169(3) 0.0704(11) Uani 1 1 d DU A .
C4 C 0.0860(2) 0.2853(2) 0.0915(3) 0.0689(10) Uani 1 1 d U . .
H4A H 0.1086 0.2908 0.0489 0.083 Uiso 1 1 calc R . .
C5 C 0.0665(2) 0.3443(2) 0.1288(2) 0.0616(9) Uani 1 1 d U . .
H5A H 0.0769 0.3896 0.1114 0.074 Uiso 1 1 calc R . .
C6 C 0.0938(2) 0.1491(2) 0.0759(3) 0.0847(14) Uani 1 1 d DU . .
C7 C 0.1261(6) 0.1666(5) 0.0024(5) 0.113(3) Uani 0.660(8) 1 d PDU A 1
H7A H 0.1387 0.1227 -0.0206 0.170 Uiso 0.660(8) 1 calc PR A 1
H7B H 0.1678 0.1957 0.0216 0.170 Uiso 0.660(8) 1 calc PR A 1
H7C H 0.0919 0.1923 -0.0393 0.170 Uiso 0.660(8) 1 calc PR A 1
C8 C 0.0290(4) 0.1029(5) 0.0390(7) 0.106(3) Uani 0.660(8) 1 d PDU A 1
H8A H 0.0063 0.0896 0.0817 0.159 Uiso 0.660(8) 1 calc PR A 1
H8B H 0.0434 0.0604 0.0150 0.159 Uiso 0.660(8) 1 calc PR A 1
H8C H -0.0038 0.1297 -0.0031 0.159 Uiso 0.660(8) 1 calc PR A 1
C9 C 0.1519(5) 0.1103(5) 0.1387(5) 0.101(3) Uani 0.660(8) 1 d PDU A 1
H9A H 0.1349 0.0978 0.1861 0.151 Uiso 0.660(8) 1 calc PR A 1
H9B H 0.1926 0.1410 0.1554 0.151 Uiso 0.660(8) 1 calc PR A 1
H9C H 0.1650 0.0673 0.1141 0.151 Uiso 0.660(8) 1 calc PR A 1
C7' C 0.0780(12) 0.0795(5) 0.1175(12) 0.111(5) Uani 0.340(8) 1 d PDU A 2
H7'A H 0.0778 0.0397 0.0809 0.167 Uiso 0.340(8) 1 calc PR A 2
H7'B H 0.0324 0.0833 0.1295 0.167 Uiso 0.340(8) 1 calc PR A 2
H7'C H 0.1139 0.0722 0.1681 0.167 Uiso 0.340(8) 1 calc PR A 2
C8' C 0.0430(10) 0.1365(12) -0.0083(8) 0.109(5) Uani 0.340(8) 1 d PDU A 2
H8'A H -0.0018 0.1201 -0.0010 0.164 Uiso 0.340(8) 1 calc PR A 2
H8'B H 0.0625 0.1008 -0.0379 0.164 Uiso 0.340(8) 1 calc PR A 2
H8'C H 0.0362 0.1805 -0.0392 0.164 Uiso 0.340(8) 1 calc PR A 2
C9' C 0.1745(3) 0.1463(11) 0.0965(13) 0.105(5) Uani 0.340(8) 1 d PDU A 2
H9'A H 0.1926 0.1337 0.1538 0.158 Uiso 0.340(8) 1 calc PR A 2
H9'B H 0.1926 0.1924 0.0863 0.158 Uiso 0.340(8) 1 calc PR A 2
H9'C H 0.1891 0.1108 0.0624 0.158 Uiso 0.340(8) 1 calc PR A 2
C11 C 0.02967(19) 0.50150(19) 0.1851(2) 0.0498(7) Uani 1 1 d . . .
C12 C 0.0442(2) 0.5494(2) 0.1442(2) 0.0554(8) Uani 1 1 d . . .
C13 C 0.06388(19) 0.6091(2) 0.0989(2) 0.0519(8) Uani 1 1 d . . .
C14 C 0.0789(2) 0.5999(2) 0.0222(3) 0.0618(9) Uani 1 1 d . . .
H14A H 0.0735 0.5549 -0.0030 0.074 Uiso 1 1 calc R . .
C15 C 0.1018(2) 0.6575(2) -0.0169(2) 0.0633(10) Uani 1 1 d . . .
H15A H 0.1121 0.6503 -0.0678 0.076 Uiso 1 1 calc R . .
C16 C 0.10968(19) 0.7252(2) 0.0180(2) 0.0539(8) Uani 1 1 d . . .
C17 C 0.0913(2) 0.7355(2) 0.0933(2) 0.0611(9) Uani 1 1 d . . .
H17A H 0.0944 0.7810 0.1170 0.073 Uiso 1 1 calc R . .
C18 C 0.0686(2) 0.6786(2) 0.1319(2) 0.0611(9) Uani 1 1 d . . .
H18A H 0.0561 0.6864 0.1815 0.073 Uiso 1 1 calc R . .
C19 C 0.1350(2) 0.7848(2) -0.0213(2) 0.0620(9) Uani 1 1 d . . .
C20 C 0.1570(2) 0.8332(2) -0.0539(3) 0.0635(9) Uani 1 1 d . . .
C21 C 0.1822(2) 0.8929(2) -0.0944(2) 0.0579(9) Uani 1 1 d . . .
C22 C 0.1541(3) 0.9600(3) -0.0971(4) 0.0843(15) Uani 1 1 d . . .
H22A H 0.1188 0.9670 -0.0692 0.101 Uiso 1 1 calc R . .
C23 C 0.2225(2) 1.0054(2) -0.1773(3) 0.0588(9) Uani 1 1 d . . .
C24 C 0.2567(2) 0.9403(3) -0.1751(3) 0.0665(10) Uani 1 1 d . . .
H24A H 0.2931 0.9350 -0.2017 0.080 Uiso 1 1 calc R . .
C25 C 0.2372(2) 0.8837(2) -0.1337(3) 0.0683(10) Uani 1 1 d . . .
H25A H 0.2602 0.8396 -0.1316 0.082 Uiso 1 1 calc R . .
C26 C 0.2402(2) 1.0672(2) -0.2253(3) 0.0605(10) Uani 1 1 d U . .
C27 C 0.2266(3) 1.1378(3) -0.2070(3) 0.0802(13) Uani 1 1 d U . .
H27A H 0.2052 1.1485 -0.1644 0.096 Uiso 1 1 calc R . .
C28 C 0.2459(3) 1.1915(3) -0.2541(4) 0.0938(17) Uani 1 1 d U . .
H28A H 0.2384 1.2394 -0.2428 0.113 Uiso 1 1 calc R . .
C29 C 0.2759(3) 1.1743(3) -0.3172(4) 0.1012(18) Uani 1 1 d U . .
H29A H 0.2884 1.2098 -0.3503 0.121 Uiso 1 1 calc R . .
C30 C 0.2869(4) 1.1043(4) -0.3300(5) 0.113(2) Uani 1 1 d U . .
H30A H 0.3075 1.0929 -0.3730 0.135 Uiso 1 1 calc R . .
C01 C 0.3585(4) 0.9140(4) -0.3729(4) 0.100(2) Uani 1 1 d . . .
H01A H 0.4067 0.9321 -0.3544 0.120 Uiso 1 1 calc R . .
H01B H 0.3304 0.9357 -0.3387 0.120 Uiso 1 1 calc R . .
Cl1 Cl 0.35866(13) 0.82117(13) -0.36171(13) 0.1429(7) Uani 1 1 d . . .
Cl2 Cl 0.32293(15) 0.93761(13) -0.47667(15) 0.1358(8) Uani 1 1 d . . .
C02 C 0.5000 0.4189(3) -0.7500 0.176(8) Uani 1 2 d SD . .
Cl3 Cl 0.5000 0.32563(16) -0.7500 0.1689(14) Uani 1 2 d SD . .
Cl4 Cl 0.4577(3) 0.4517(4) -0.6808(4) 0.292(6) Uani 0.50 1 d PD . .
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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 '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
C11 Pt C11 87.2(2) . 2
C11 Pt N1 175.06(12) . 2
C11 Pt N1 97.22(15) 2 2
C11 Pt N1 97.22(15) . .
C11 Pt N1 175.06(12) 2 .
N1 Pt N1 78.45(17) 2 .
C1 N1 C5 118.6(3) . .
C1 N1 Pt 115.9(2) . .
C5 N1 Pt 125.5(3) . .
C22 N2 C23 116.6(4) . .
C26 N3 C30 116.1(5) . .
N1 C1 C2 119.5(4) . .
N1 C1 C1 114.9(2) . 2
C2 C1 C1 125.7(3) . 2
C3 C2 C1 122.2(4) . .
C3 C2 H2A 118.9 . .
C1 C2 H2A 118.9 . .
C2 C3 C4 117.0(3) . .
C2 C3 C6 121.7(4) . .
C4 C3 C6 121.3(4) . .
C5 C4 C3 120.2(4) . .
C5 C4 H4A 119.9 . .
C3 C4 H4A 119.9 . .
N1 C5 C4 122.6(4) . .
N1 C5 H5A 118.7 . .
C4 C5 H5A 118.7 . .
C9 C6 C8' 139.7(9) . .
C9 C6 C9' 43.9(8) . .
C8' C6 C9' 126.8(12) . .
C9 C6 C8 114.1(7) . .
C8' C6 C8 42.1(9) . .
C9' C6 C8 140.8(8) . .
C9 C6 C7' 59.0(10) . .
C8' C6 C7' 97.4(13) . .
C9' C6 C7' 100.4(12) . .
C8 C6 C7' 57.8(10) . .
C9 C6 C3 108.8(4) . .
C8' C6 C3 110.5(7) . .
C9' C6 C3 108.0(7) . .
C8 C6 C3 110.5(4) . .
C7' C6 C3 112.4(7) . .
C9 C6 C7 105.5(7) . .
C8' C6 C7 66.4(11) . .
C9' C6 C7 65.5(10) . .
C8 C6 C7 105.0(7) . .
C7' C6 C7 134.7(8) . .
C3 C6 C7 112.9(5) . .
C6 C7 H7A 109.5 . .
C6 C7 H7B 109.5 . .
H7A C7 H7B 109.5 . .
C6 C7 H7C 109.5 . .
H7A C7 H7C 109.5 . .
H7B C7 H7C 109.5 . .
C6 C8 H8A 109.5 . .
C6 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
C6 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
C6 C9 H9A 109.5 . .
C6 C9 H9B 109.5 . .
H9A C9 H9B 109.5 . .
C6 C9 H9C 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
C6 C7' H7'A 109.5 . .
C6 C7' H7'B 109.5 . .
H7'A C7' H7'B 109.5 . .
C6 C7' H7'C 109.5 . .
H7'A C7' H7'C 109.5 . .
H7'B C7' H7'C 109.5 . .
C6 C8' H8'A 109.5 . .
C6 C8' H8'B 109.5 . .
H8'A C8' H8'B 109.5 . .
C6 C8' H8'C 109.5 . .
H8'A C8' H8'C 109.5 . .
H8'B C8' H8'C 109.5 . .
C6 C9' H9'A 109.5 . .
C6 C9' H9'B 109.5 . .
H9'A C9' H9'B 109.5 . .
C6 C9' H9'C 109.5 . .
H9'A C9' H9'C 109.5 . .
H9'B C9' H9'C 109.5 . .
C12 C11 Pt 176.6(3) . .
C11 C12 C13 176.9(4) . .
C14 C13 C18 117.8(3) . .
C14 C13 C12 122.0(4) . .
C18 C13 C12 120.2(3) . .
C15 C14 C13 120.3(4) . .
C15 C14 H14A 119.9 . .
C13 C14 H14A 119.9 . .
C16 C15 C14 121.6(3) . .
C16 C15 H15A 119.2 . .
C14 C15 H15A 119.2 . .
C15 C16 C17 118.4(3) . .
C15 C16 C19 121.8(3) . .
C17 C16 C19 119.8(4) . .
C18 C17 C16 120.0(4) . .
C18 C17 H17A 120.0 . .
C16 C17 H17A 120.0 . .
C17 C18 C13 121.8(3) . .
C17 C18 H18A 119.1 . .
C13 C18 H18A 119.1 . .
C20 C19 C16 178.7(4) . .
C19 C20 C21 178.6(5) . .
C22 C21 C25 116.5(4) . .
C22 C21 C20 122.7(4) . .
C25 C21 C20 120.8(4) . .
N2 C22 C21 125.9(4) . .
N2 C22 H22A 117.1 . .
C21 C22 H22A 117.1 . .
N2 C23 C24 122.0(4) . .
N2 C23 C26 116.9(4) . .
C24 C23 C26 121.2(4) . .
C25 C24 C23 119.9(4) . .
C25 C24 H24A 120.1 . .
C23 C24 H24A 120.1 . .
C24 C25 C21 119.0(4) . .
C24 C25 H25A 120.5 . .
C21 C25 H25A 120.5 . .
N3 C26 C27 123.2(4) . .
N3 C26 C23 114.9(4) . .
C27 C26 C23 121.9(4) . .
C28 C27 C26 117.7(5) . .
C28 C27 H27A 121.2 . .
C26 C27 H27A 121.2 . .
C29 C28 C27 120.0(6) . .
C29 C28 H28A 120.0 . .
C27 C28 H28A 120.0 . .
C30 C29 C28 117.7(5) . .
C30 C29 H29A 121.2 . .
C28 C29 H29A 121.2 . .
N3 C30 C29 125.3(6) . .
N3 C30 H30A 117.4 . .
C29 C30 H30A 117.4 . .
Cl1 C01 Cl2 110.1(4) . .
Cl1 C01 H01A 109.6 . .
Cl2 C01 H01A 109.6 . .
Cl1 C01 H01B 109.6 . .
Cl2 C01 H01B 109.6 . .
H01A C01 H01B 108.1 . .
Cl4 C02 Cl4 137.6(7) . 2_653
Cl4 C02 Cl3 111.2(3) . .
Cl4 C02 Cl3 111.2(3) 2_653 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pt C11 1.954(4) .
Pt C11 1.954(4) 2
Pt N1 2.062(3) 2
Pt N1 2.062(3) .
N1 C1 1.355(5) .
N1 C5 1.359(5) .
N2 C22 1.332(6) .
N2 C23 1.340(5) .
N3 C26 1.327(6) .
N3 C30 1.345(7) .
C1 C2 1.399(5) .
C1 C1 1.467(8) 2
C2 C3 1.363(7) .
C2 H2A 0.9300 .
C3 C4 1.389(7) .
C3 C6 1.542(4) .
C4 C5 1.362(6) .
C4 H4A 0.9300 .
C5 H5A 0.9300 .
C6 C9 1.517(5) .
C6 C8' 1.517(5) .
C6 C9' 1.519(5) .
C6 C8 1.522(5) .
C6 C7' 1.536(5) .
C6 C7 1.544(5) .
C7 H7A 0.9600 .
C7 H7B 0.9600 .
C7 H7C 0.9600 .
C8 H8A 0.9600 .
C8 H8B 0.9600 .
C8 H8C 0.9600 .
C9 H9A 0.9600 .
C9 H9B 0.9600 .
C9 H9C 0.9600 .
C7' H7'A 0.9600 .
C7' H7'B 0.9600 .
C7' H7'C 0.9600 .
C8' H8'A 0.9600 .
C8' H8'B 0.9600 .
C8' H8'C 0.9600 .
C9' H9'A 0.9600 .
C9' H9'B 0.9600 .
C9' H9'C 0.9600 .
C11 C12 1.199(5) .
C12 C13 1.448(5) .
C13 C14 1.392(5) .
C13 C18 1.401(5) .
C14 C15 1.383(6) .
C14 H14A 0.9300 .
C15 C16 1.381(6) .
C15 H15A 0.9300 .
C16 C17 1.402(5) .
C16 C19 1.436(5) .
C17 C18 1.367(5) .
C17 H17A 0.9300 .
C18 H18A 0.9300 .
C19 C20 1.186(5) .
C20 C21 1.448(5) .
C21 C22 1.358(7) .
C21 C25 1.399(6) .
C22 H22A 0.9300 .
C23 C24 1.378(6) .
C23 C26 1.492(5) .
C24 C25 1.364(6) .
C24 H24A 0.9300 .
C25 H25A 0.9300 .
C26 C27 1.389(6) .
C27 C28 1.379(7) .
C27 H27A 0.9300 .
C28 C29 1.365(8) .
C28 H28A 0.9300 .
C29 C30 1.346(9) .
C29 H29A 0.9300 .
C30 H30A 0.9300 .
C01 Cl1 1.738(7) .
C01 Cl2 1.751(7) .
C01 H01A 0.9700 .
C01 H01B 0.9700 .
C02 Cl4 1.690(4) .
C02 Cl4 1.690(4) 2_653
C02 Cl3 1.736(5) .
