#------------------------------------------------------------------------------
#$Date: 2016-03-26 18:00:24 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180407 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/76/7207670.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_7207670
loop_
_publ_author_name
'Berg, Nelly'
'Taylor, Stephanie M.'
'Prescimone, Alessandro'
'Brechin, Euan. K.'
'Jones, Leigh F.'
_publ_section_title
;
 Old dog, new tricks: 2,2′-biphenol as a bridging and book-end
 ligand in discrete and extended Co(ii) architectures
;
_journal_issue                   8
_journal_name_full               CrystEngComm
_journal_page_first              2732
_journal_paper_doi               10.1039/c2ce25047k
_journal_volume                  14
_journal_year                    2012
_chemical_formula_sum            'C72 H64 Co2 N4 O8'
_chemical_formula_weight         1231.13
_chemical_name_common            ?[Co2(Biphen)2(3-pic)4].2(BiphenH2)
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                111.49(3)
_cell_angle_beta                 113.74(3)
_cell_angle_gamma                95.46(3)
_cell_formula_units_Z            1
_cell_length_a                   11.119(2)
_cell_length_b                   12.486(3)
_cell_length_c                   13.342(3)
_cell_measurement_reflns_used    5715
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      25.35
_cell_measurement_theta_min      2.8831
_cell_volume                     1512.3(9)
_computing_cell_refinement
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.36 (release 02-08-2010 CrysAlis171 .NET)
(compiled Aug 2 2010,13:00:58)
;
_computing_data_collection
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.36 (release 02-08-2010 CrysAlis171 .NET)
(compiled Aug 2 2010,13:00:58)
;
_computing_data_reduction
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.36 (release 02-08-2010 CrysAlis171 .NET)
(compiled Aug 2 2010,13:00:58)
;
_computing_molecular_graphics    'ORTEX (P.McArdle, 1995)'
_computing_publication_material  'SHELXL-97/2 (Sheldrick,1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 16.1048
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_details
;
1 omega -21.00 22.00 1.0000 39.0300
omega____ theta____ kappa____ phi______ frames
- -18.3278 -101.0000 175.0000 43
2 omega -18.00 10.00 1.0000 39.0300
omega____ theta____ kappa____ phi______ frames
- -18.3278 -101.0000 79.0000 28
3 omega -2.00 61.00 1.0000 39.0300
omega____ theta____ kappa____ phi______ frames
- 18.6403 -101.0000 -4.0000 63
4 omega 39.00 86.00 1.0000 39.0300
omega____ theta____ kappa____ phi______ frames
- 18.6403 179.0000 150.0000 47
5 omega -4.00 86.00 1.0000 39.0300
omega____ theta____ kappa____ phi______ frames
- 18.6403 37.0000 -60.0000 90
6 omega 65.00 90.00 1.0000 39.0300
omega____ theta____ kappa____ phi______ frames
- 18.6403 37.0000 -150.0000 25
7 omega -51.00 35.00 1.0000 39.0300
omega____ theta____ kappa____ phi______ frames
- 18.6403 -37.0000 120.0000 86
;
_diffrn_measurement_device_type  'Xcalibur, Sapphire3'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      -0.0572385000
_diffrn_orient_matrix_UB_12      -0.0404884000
_diffrn_orient_matrix_UB_13      -0.0566105000
_diffrn_orient_matrix_UB_21      0.0343060000
_diffrn_orient_matrix_UB_22      -0.0452570000
_diffrn_orient_matrix_UB_23      -0.0031788000
_diffrn_orient_matrix_UB_31      -0.0288506000
_diffrn_orient_matrix_UB_32      -0.0192054000
_diffrn_orient_matrix_UB_33      0.0314026000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.0239
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            12216
_diffrn_reflns_theta_full        25.35
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_min         2.8831
_exptl_absorpt_coefficient_mu    0.610
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.95165
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.36 (release 02-08-2010 CrysAlis171 .NET)
(compiled Aug 2 2010,13:00:58)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            Purple
_exptl_crystal_density_diffrn    1.352
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Parallelepiped
_exptl_crystal_F_000             642
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.283
_refine_diff_density_min         -0.347
_refine_diff_density_rms         0.055
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     389
_refine_ls_number_reflns         5527
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.018
_refine_ls_R_factor_all          0.0489
_refine_ls_R_factor_gt           0.0337
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0381P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0767
_refine_ls_wR_factor_ref         0.0811
_reflns_number_gt                4451
_reflns_number_total             5527
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2ce25047k.txt
_cod_data_source_block           nb240j2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        1512.3(5)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7207670
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Co1 Co 0.34877(3) 0.42237(2) 0.39714(3) 0.01807(9) Uani 1 1 d .
N1 N 0.24129(17) 0.38651(14) 0.20890(16) 0.0203(4) Uani 1 1 d .
N2 N 0.20340(16) 0.50337(14) 0.42535(15) 0.0198(4) Uani 1 1 d .
O1 O 0.48404(13) 0.48087(11) 0.58030(12) 0.0187(3) Uani 1 1 d .
O2 O 0.30785(14) 0.25581(11) 0.37195(13) 0.0219(3) Uani 1 1 d .
O3 O 0.06157(15) 0.14721(13) 0.22307(14) 0.0263(4) Uani 1 1 d .
H3H H 0.1465 0.1661 0.2683 0.032 Uiso 1 1 calc R
O4 O -0.11233(17) 0.05373(15) -0.01033(14) 0.0377(4) Uani 1 1 d .
H4H H -0.0389 0.0726 0.0536 0.045 Uiso 1 1 calc R
C1 C 0.4577(2) 0.44138(17) 0.65305(18) 0.0184(4) Uani 1 1 d .
C2 C 0.4387(2) 0.51914(18) 0.74765(19) 0.0237(5) Uani 1 1 d .
H2 H 0.4402 0.5988 0.7581 0.028 Uiso 1 1 calc R
C3 C 0.4175(2) 0.4823(2) 0.8268(2) 0.0288(5) Uani 1 1 d .
H3 H 0.4056 0.5367 0.8914 0.035 Uiso 1 1 calc R
C4 C 0.4138(2) 0.36637(19) 0.8116(2) 0.0279(5) Uani 1 1 d .
H4 H 0.3989 0.3402 0.8653 0.033 Uiso 1 1 calc R
C5 C 0.4321(2) 0.28842(19) 0.7171(2) 0.0237(5) Uani 1 1 d .
H5 H 0.4299 0.2088 0.7073 0.028 Uiso 1 1 calc R
C6 C 0.4537(2) 0.32268(17) 0.63631(19) 0.0190(4) Uani 1 1 d .
C7 C 0.4825(2) 0.23834(17) 0.54149(19) 0.0188(5) Uani 1 1 d .
C8 C 0.5850(2) 0.18292(18) 0.5788(2) 0.0242(5) Uani 1 1 d .
H8 H 0.6347 0.2021 0.6629 0.029 Uiso 1 1 calc R
C9 C 0.6158(2) 0.10115(18) 0.4963(2) 0.0293(5) Uani 1 1 d .
H9 H 0.6866 0.0657 0.5238 0.035 Uiso 1 1 calc R
C10 C 0.5428(2) 0.07177(19) 0.3742(2) 0.0305(6) Uani 1 1 d .
H10 H 0.5624 0.0150 0.3169 0.037 Uiso 1 1 calc R
C11 C 0.4410(2) 0.12430(17) 0.3343(2) 0.0259(5) Uani 1 1 d .
H11 H 0.3913 0.1028 0.2496 0.031 Uiso 1 1 calc R
C12 C 0.4098(2) 0.20856(17) 0.41638(19) 0.0191(5) Uani 1 1 d .
C13 C 0.2240(2) 0.48252(19) 0.1877(2) 0.0248(5) Uani 1 1 d .
H13 H 0.2495 0.5578 0.2556 0.030 Uiso 1 1 calc R
C14 C 0.1715(2) 0.4777(2) 0.0735(2) 0.0292(5) Uani 1 1 d .
H14 H 0.1639 0.5490 0.0641 0.035 Uiso 1 1 calc R
C15 C 0.1296(2) 0.3696(2) -0.0280(2) 0.0311(5) Uani 1 1 d .
C16 C 0.0688(3) 0.3606(3) -0.1557(2) 0.0513(7) Uani 1 1 d .
H16A H 0.1287 0.3349 -0.1915 0.077 Uiso 1 1 calc R
H16B H 0.0604 0.4393 -0.1519 0.077 Uiso 1 1 calc R
H16C H -0.0220 0.3019 -0.2062 0.077 Uiso 1 1 calc R
C17 C 0.1458(2) 0.2697(2) -0.0070(2) 0.0325(6) Uani 1 1 d .
H17 H 0.1184 0.1930 -0.0737 0.039 Uiso 1 1 calc R
C18 C 0.2018(2) 0.28185(18) 0.1105(2) 0.0246(5) Uani 1 1 d .
H18 H 0.2131 0.2123 0.1225 0.030 Uiso 1 1 calc R
C19 C 0.0674(2) 0.45016(18) 0.35422(19) 0.0216(5) Uani 1 1 d .
H19 H 0.0371 0.3685 0.2956 0.026 Uiso 1 1 calc R
C20 C -0.0290(2) 0.50854(18) 0.36263(19) 0.0220(5) Uani 1 1 d .
H20 H -0.1236 0.4666 0.3117 0.026 Uiso 1 1 calc R
C21 C 0.0109(2) 0.62869(18) 0.44519(19) 0.0203(5) Uani 1 1 d .
C22 C -0.0898(2) 0.6969(2) 0.4559(2) 0.0288(5) Uani 1 1 d .
H22A H -0.1263 0.6784 0.5053 0.043 Uiso 1 1 calc R
H22B H -0.1651 0.6740 0.3743 0.043 Uiso 1 1 calc R
H22C H -0.0443 0.7832 0.4952 0.043 Uiso 1 1 calc R
C23 C 0.1510(2) 0.68305(18) 0.5186(2) 0.0249(5) Uani 1 1 d .
H23 H 0.1837 0.7648 0.5773 0.030 Uiso 1 1 calc R
C24 C 0.2423(2) 0.61916(18) 0.50684(19) 0.0248(5) Uani 1 1 d .
H24 H 0.3375 0.6585 0.5587 0.030 Uiso 1 1 calc R
C25 C -0.0043(2) 0.07225(17) 0.24889(19) 0.0207(5) Uani 1 1 d .
C26 C 0.0678(2) 0.02439(18) 0.3256(2) 0.0244(5) Uani 1 1 d .
H26 H 0.1644 0.0406 0.3577 0.029 Uiso 1 1 calc R
C27 C -0.0012(2) -0.04693(19) 0.3555(2) 0.0307(6) Uani 1 1 d .
H27 H 0.0483 -0.0782 0.4095 0.037 Uiso 1 1 calc R
C28 C -0.1418(2) -0.0726(2) 0.3069(2) 0.0353(6) Uani 1 1 d .
H28 H -0.1892 -0.1208 0.3280 0.042 Uiso 1 1 calc R
C29 C -0.2131(2) -0.0282(2) 0.2275(2) 0.0318(6) Uani 1 1 d .
H29 H -0.3101 -0.0482 0.1930 0.038 Uiso 1 1 calc R
C30 C -0.1473(2) 0.04568(18) 0.19588(19) 0.0233(5) Uani 1 1 d .
C31 C -0.2277(2) 0.09636(19) 0.1146(2) 0.0288(5) Uani 1 1 d .
C32 C -0.3337(2) 0.1389(2) 0.1303(2) 0.0428(7) Uani 1 1 d .
H32 H -0.3506 0.1363 0.1938 0.051 Uiso 1 1 calc R
C33 C -0.4149(2) 0.18480(16) 0.0559(2) 0.0588(9) Uani 1 1 d .
H33 H -0.4871 0.2125 0.0677 0.071 Uiso 1 1 calc R
C34 C -0.3894(2) 0.18958(16) -0.0351(2) 0.0619(9) Uani 1 1 d R
H34 H -0.4438 0.2216 -0.0861 0.074 Uiso 1 1 calc R
C35 C -0.2854(3) 0.1484(2) -0.0534(2) 0.0490(7) Uani 1 1 d .
H35 H -0.2686 0.1527 -0.1165 0.059 Uiso 1 1 calc R
C36 C -0.2054(2) 0.10082(19) 0.0198(2) 0.0323(6) Uani 1 1 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'
Co Co 0.3494 0.9721 '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
O2 Co1 O1 127.76(6) . 2_666
O2 Co1 O1 91.31(7) . .
O1 Co1 O1 76.67(7) 2_666 .
O2 Co1 N2 111.83(6) . .
O1 Co1 N2 119.83(6) 2_666 .
O1 Co1 N2 95.99(7) . .
O2 Co1 N1 97.22(7) . .
O1 Co1 N1 91.59(7) 2_666 .
O1 Co1 N1 168.16(5) . .
N2 Co1 N1 88.47(7) . .
C18 N1 C13 116.24(19) . .
C18 N1 Co1 127.50(15) . .
C13 N1 Co1 115.89(14) . .
C24 N2 C19 116.74(19) . .
C24 N2 Co1 119.95(14) . .
C19 N2 Co1 122.74(14) . .
C1 O1 Co1 132.51(12) . 2_666
C1 O1 Co1 123.52(11) . .
Co1 O1 Co1 103.33(7) 2_666 .
C12 O2 Co1 120.73(11) . .
C25 O3 H3H 109.5 . .
C36 O4 H4H 109.5 . .
O1 C1 C2 120.01(18) . .
O1 C1 C6 120.37(17) . .
C2 C1 C6 119.59(18) . .
C3 C2 C1 121.1(2) . .
C3 C2 H2 119.5 . .
C1 C2 H2 119.5 . .
C4 C3 C2 119.8(2) . .
C4 C3 H3 120.1 . .
C2 C3 H3 120.1 . .
C3 C4 C5 119.2(2) . .
C3 C4 H4 120.4 . .
C5 C4 H4 120.4 . .
C4 C5 C6 122.3(2) . .
C4 C5 H5 118.9 . .
C6 C5 H5 118.9 . .
C5 C6 C1 117.95(19) . .
C5 C6 C7 120.26(18) . .
C1 C6 C7 121.61(17) . .
C8 C7 C12 118.23(19) . .
C8 C7 C6 118.1(2) . .
C12 C7 C6 123.61(19) . .
C9 C8 C7 121.9(2) . .
C9 C8 H8 119.1 . .
C7 C8 H8 119.1 . .
C10 C9 C8 119.2(2) . .
C10 C9 H9 120.4 . .
C8 C9 H9 120.4 . .
C9 C10 C11 120.4(2) . .
C9 C10 H10 119.8 . .
C11 C10 H10 119.8 . .
C10 C11 C12 121.2(2) . .
C10 C11 H11 119.4 . .
C12 C11 H11 119.4 . .
O2 C12 C11 118.7(2) . .
O2 C12 C7 122.33(18) . .
C11 C12 C7 119.0(2) . .
N1 C13 C14 123.5(2) . .
N1 C13 H13 118.3 . .
C14 C13 H13 118.3 . .
C13 C14 C15 120.2(2) . .
C13 C14 H14 119.9 . .
C15 C14 H14 119.9 . .
C14 C15 C17 116.7(2) . .
C14 C15 C16 121.6(2) . .
C17 C15 C16 121.7(2) . .
C15 C16 H16A 109.5 . .
C15 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
C15 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
C18 C17 C15 119.8(2) . .
C18 C17 H17 120.1 . .
C15 C17 H17 120.1 . .
N1 C18 C17 123.5(2) . .
N1 C18 H18 118.2 . .
C17 C18 H18 118.2 . .
N2 C19 C20 122.98(19) . .
N2 C19 H19 118.5 . .
C20 C19 H19 118.5 . .
C19 C20 C21 120.41(19) . .
C19 C20 H20 119.8 . .
C21 C20 H20 119.8 . .
C23 C21 C20 116.4(2) . .
C23 C21 C22 121.08(19) . .
C20 C21 C22 122.48(19) . .
C21 C22 H22A 109.5 . .
C21 C22 H22B 109.5 . .
H22A C22 H22B 109.5 . .
C21 C22 H22C 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
C24 C23 C21 120.3(2) . .
C24 C23 H23 119.8 . .
C21 C23 H23 119.8 . .
N2 C24 C23 123.1(2) . .
N2 C24 H24 118.5 . .
C23 C24 H24 118.5 . .
O3 C25 C26 121.09(19) . .
O3 C25 C30 117.53(19) . .
C26 C25 C30 121.38(19) . .
C27 C26 C25 119.9(2) . .
C27 C26 H26 120.0 . .
C25 C26 H26 120.0 . .
C28 C27 C26 120.1(2) . .
C28 C27 H27 120.0 . .
C26 C27 H27 120.0 . .
C29 C28 C27 119.7(2) . .
C29 C28 H28 120.2 . .
C27 C28 H28 120.2 . .
C28 C29 C30 122.2(2) . .
C28 C29 H29 118.9 . .
C30 C29 H29 118.9 . .
C25 C30 C29 116.7(2) . .
C25 C30 C31 122.90(18) . .
C29 C30 C31 120.4(2) . .
C32 C31 C36 117.8(2) . .
C32 C31 C30 118.9(2) . .
C36 C31 C30 123.3(2) . .
C33 C32 C31 122.0(3) . .
C33 C32 H32 119.0 . .
C31 C32 H32 119.0 . .
C34 C33 C32 118.90(16) . .
C34 C33 H33 120.6 . .
C32 C33 H33 120.6 . .
C33 C34 C35 120.78(15) . .
C33 C34 H34 119.6 . .
C35 C34 H34 119.6 . .
C34 C35 C36 120.3(3) . .
C34 C35 H35 119.8 . .
C36 C35 H35 119.8 . .
O4 C36 C35 116.6(2) . .
O4 C36 C31 123.1(2) . .
C35 C36 C31 120.2(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 O2 1.9570(14) .
Co1 O1 1.9649(14) 2_666
Co1 O1 2.0716(17) .
Co1 N2 2.0735(18) .
Co1 N1 2.1433(19) .
N1 C18 1.340(3) .
N1 C13 1.342(3) .
N2 C24 1.345(3) .
N2 C19 1.349(3) .
O1 C1 1.350(2) .
O1 Co1 1.9649(14) 2_666
O2 C12 1.351(2) .
O3 C25 1.356(2) .
O3 H3H 0.8400 .
O4 C36 1.362(3) .
O4 H4H 0.8400 .
C1 C2 1.392(3) .
C1 C6 1.409(3) .
C2 C3 1.385(3) .
C2 H2 0.9500 .
C3 C4 1.380(3) .
C3 H3 0.9500 .
C4 C5 1.387(3) .
C4 H4 0.9500 .
C5 C6 1.388(3) .
C5 H5 0.9500 .
C6 C7 1.492(3) .
C7 C8 1.404(3) .
C7 C12 1.407(3) .
C8 C9 1.384(3) .
C8 H8 0.9500 .
C9 C10 1.374(3) .
C9 H9 0.9500 .
C10 C11 1.380(3) .
C10 H10 0.9500 .
C11 C12 1.399(3) .
C11 H11 0.9500 .
C13 C14 1.371(3) .
C13 H13 0.9500 .
C14 C15 1.380(3) .
C14 H14 0.9500 .
C15 C17 1.388(3) .
C15 C16 1.513(3) .
C16 H16A 0.9800 .
C16 H16B 0.9800 .
C16 H16C 0.9800 .
C17 C18 1.375(3) .
C17 H17 0.9500 .
C18 H18 0.9500 .
C19 C20 1.370(3) .
C19 H19 0.9500 .
C20 C21 1.389(3) .
C20 H20 0.9500 .
C21 C23 1.389(3) .
C21 C22 1.491(3) .
C22 H22A 0.9800 .
C22 H22B 0.9800 .
C22 H22C 0.9800 .
C23 C24 1.372(3) .
C23 H23 0.9500 .
C24 H24 0.9500 .
C25 C26 1.388(3) .
C25 C30 1.400(3) .
C26 C27 1.384(3) .
C26 H26 0.9500 .
C27 C28 1.379(3) .
C27 H27 0.9500 .
C28 C29 1.377(3) .
C28 H28 0.9500 .
C29 C30 1.403(3) .
C29 H29 0.9500 .
C30 C31 1.486(3) .
C31 C32 1.396(3) .
C31 C36 1.402(3) .
C32 C33 1.387(3) .
C32 H32 0.9500 .
C33 C34 1.3734 .
C33 H33 0.9500 .
C34 C35 1.382(3) .
C34 H34 0.9500 .
C35 C36 1.387(3) .
C35 H35 0.9500 .
