#------------------------------------------------------------------------------
#$Date: 2016-10-08 01:19:28 +0300 (Sat, 08 Oct 2016) $
#$Revision: 187126 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/03/99/7039943.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_7039943
loop_
_publ_author_name
'Kar, Paramita'
'Yoshida, Masaki'
'Kobayashi, Atsushi'
'Routaboul, Lucie'
'Braunstein, Pierre'
'Kato, Masako'
_publ_section_title
;
 Colour tuning by the stepwise synthesis of mononuclear and homo- and
 hetero-dinuclear platinum(ii) complexes using a zwitterionic quinonoid
 ligand.
;
_journal_issue                   36
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              14080
_journal_page_last               14088
_journal_paper_doi               10.1039/c6dt02328b
_journal_volume                  45
_journal_year                    2016
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'C19 H17 N3 O2 Pt1'
_chemical_formula_sum            'C19 H17 N3 O2 Pt'
_chemical_formula_weight         514.45
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_update_record
;
2016-07-13 deposited with the CCDC.
2016-07-18 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 94.841(6)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   11.541(5)
_cell_length_b                   12.082(5)
_cell_length_c                   22.8050(10)
_cell_measurement_reflns_used    7846
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.1
_cell_measurement_wavelength     0.71073
_cell_volume                     3168.5(19)
_computing_cell_refinement       'CrystalClear-SM Expert 2.0 r16'
_computing_data_collection
'CrystalClear-SM Expert 2.0 r16 (Rigaku, 2013)'
_computing_data_reduction        'CrystalClear-SM Expert 2.0 r16'
_computing_molecular_graphics    'CrystalStructure 4.1'
_computing_publication_material  'CrystalStructure 4.1 (Rigaku, 2014)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR2011 (Burla, et al., 2012)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Rigaku Mercury70'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.1071
_diffrn_reflns_av_unetI/netI     0.0982
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            23916
_diffrn_reflns_theta_full        27.52
_diffrn_reflns_theta_max         27.52
_diffrn_reflns_theta_min         3.12
_exptl_absorpt_coefficient_mu    8.875
_exptl_absorpt_correction_T_max  0.775
_exptl_absorpt_correction_T_min  0.694
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'NUMABS (Rigaku, 1999)'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    2.157
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1968
_exptl_crystal_size_max          0.296
_exptl_crystal_size_mid          0.228
_exptl_crystal_size_min          0.214
_refine_diff_density_max         4.225
_refine_diff_density_min         -2.016
_refine_diff_density_rms         0.318
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     455
_refine_ls_number_reflns         7230
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.026
_refine_ls_R_factor_all          0.0809
_refine_ls_R_factor_gt           0.0563
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0593P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1239
_refine_ls_wR_factor_ref         0.138
_reflns_number_gt                5324
_reflns_number_total             7230
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            c6dt02328b2.cif
_cod_data_source_block           1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Numerical' changed to
'numerical' according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4268 2015-11-12 08:31:59Z antanas 

 Adding full bibliography for 7039943--7039945.cif.
;
_cod_database_code               7039943
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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
Pt1 Pt 0.67384(3) 0.14400(3) 0.618113(15) 0.01838(11) Uani 1 1 d .
Pt2 Pt 0.12040(3) -0.91535(3) 0.332338(15) 0.01889(12) Uani 1 1 d .
O1 O 0.5320(6) 0.0366(5) 0.6235(3) 0.0220(15) Uani 1 1 d .
O2 O 0.3815(6) -0.2922(5) 0.5396(3) 0.0271(16) Uani 1 1 d .
O3 O 0.2694(6) -0.8147(5) 0.3317(3) 0.0237(15) Uani 1 1 d .
O4 O 0.4228(7) -0.4884(5) 0.4177(3) 0.0308(18) Uani 1 1 d .
N1 N 0.6307(8) 0.2474(6) 0.6809(3) 0.0210(18) Uani 1 1 d .
N2 N 0.6940(8) 0.0402(6) 0.5509(3) 0.0219(18) Uani 1 1 d .
N3 N 0.5494(7) -0.3017(6) 0.4670(3) 0.0219(18) Uani 1 1 d .
N4 N 0.1596(8) -1.0141(6) 0.2671(3) 0.0236(19) Uani 1 1 d .
N5 N 0.1013(8) -0.8128(6) 0.4004(3) 0.0230(18) Uani 1 1 d .
N6 N 0.2526(8) -0.4747(6) 0.4878(4) 0.026(2) Uani 1 1 d .
C1 C 0.8095(9) 0.2469(8) 0.6206(4) 0.023(2) Uani 1 1 d .
C2 C 0.9148(9) 0.2379(8) 0.5927(4) 0.022(2) Uani 1 1 d .
C3 C 1.0010(10) 0.3199(8) 0.6014(4) 0.029(2) Uani 1 1 d .
C4 C 0.9854(11) 0.4083(8) 0.6355(4) 0.030(3) Uani 1 1 d .
C5 C 0.8851(9) 0.4171(7) 0.6648(4) 0.023(2) Uani 1 1 d .
C6 C 0.7989(10) 0.3391(8) 0.6566(4) 0.024(2) Uani 1 1 d .
C7 C 0.6964(9) 0.3389(8) 0.6899(4) 0.019(2) Uani 1 1 d .
C8 C 0.6626(9) 0.4194(8) 0.7295(4) 0.024(2) Uani 1 1 d .
C9 C 0.5689(10) 0.4038(8) 0.7610(4) 0.026(2) Uani 1 1 d .
C10 C 0.5046(10) 0.3084(9) 0.7516(4) 0.031(3) Uani 1 1 d .
C11 C 0.5374(10) 0.2318(8) 0.7119(4) 0.026(2) Uani 1 1 d .
C12 C 0.5314(9) -0.0466(7) 0.5885(4) 0.021(2) Uani 1 1 d .
C13 C 0.6255(9) -0.0437(8) 0.5452(4) 0.019(2) Uani 1 1 d .
C14 C 0.6299(9) -0.1337(8) 0.5048(4) 0.022(2) Uani 1 1 d .
C15 C 0.5506(8) -0.2151(7) 0.5027(4) 0.018(2) Uani 1 1 d .
C16 C 0.4545(10) -0.2175(8) 0.5461(4) 0.028(2) Uani 1 1 d .
C17 C 0.4537(9) -0.1298(9) 0.5847(4) 0.027(2) Uani 1 1 d .
C18 C 0.7789(10) 0.0558(8) 0.5076(4) 0.025(2) Uani 1 1 d .
H18A H 0.8544 0.0262 0.5233 0.037 Uiso 1 1 calc R
H18B H 0.7867 0.1349 0.4993 0.037 Uiso 1 1 calc R
H18C H 0.7528 0.0167 0.4712 0.037 Uiso 1 1 calc R
C19 C 0.6271(10) -0.3105(8) 0.4205(4) 0.028(2) Uani 1 1 d .
H19A H 0.6285 -0.24 0.3993 0.042 Uiso 1 1 calc R
H19B H 0.5997 -0.3693 0.3931 0.042 Uiso 1 1 calc R
H19C H 0.7057 -0.3282 0.4376 0.042 Uiso 1 1 calc R
C20 C -0.0202(8) -1.0111(8) 0.3264(4) 0.0184(19) Uani 1 1 d .
C21 C -0.1257(10) -1.0004(7) 0.3519(4) 0.027(2) Uani 1 1 d .
C22 C -0.2147(11) -1.0803(9) 0.3435(5) 0.035(3) Uani 1 1 d .
C23 C -0.2028(10) -1.1692(9) 0.3076(5) 0.031(3) Uani 1 1 d .
C24 C -0.1001(10) -1.1767(9) 0.2787(4) 0.027(2) Uani 1 1 d .
C25 C -0.0141(10) -1.1006(8) 0.2862(4) 0.025(2) Uani 1 1 d .
C26 C 0.0900(9) -1.1011(8) 0.2542(4) 0.022(2) Uani 1 1 d .
C27 C 0.1163(10) -1.1806(7) 0.2121(4) 0.025(2) Uani 1 1 d .
C28 C 0.2156(10) -1.1656(8) 0.1828(4) 0.025(2) Uani 1 1 d .
C29 C 0.2869(11) -1.0736(9) 0.1960(5) 0.032(3) Uani 1 1 d .
C30 C 0.2532(9) -0.9996(8) 0.2375(4) 0.025(2) Uani 1 1 d .
C31 C 0.2713(9) -0.7311(7) 0.3664(4) 0.018(2) Uani 1 1 d .
C32 C 0.1736(9) -0.7288(7) 0.4073(4) 0.017(2) Uani 1 1 d .
C33 C 0.1662(9) -0.6420(8) 0.4476(4) 0.021(2) Uani 1 1 d .
C34 C 0.2506(10) -0.5589(8) 0.4509(4) 0.025(2) Uani 1 1 d .
C35 C 0.3515(10) -0.5622(8) 0.4121(5) 0.027(2) Uani 1 1 d .
C36 C 0.3486(9) -0.6500(8) 0.3703(4) 0.021(2) Uani 1 1 d .
C37 C 0.0131(10) -0.8251(8) 0.4438(4) 0.029(2) Uani 1 1 d .
H37A H 0.0484 -0.8068 0.4832 0.043 Uiso 1 1 calc R
H37B H -0.0151 -0.9016 0.4434 0.043 Uiso 1 1 calc R
H37C H -0.0521 -0.7749 0.4334 0.043 Uiso 1 1 calc R
C38 C 0.1684(10) -0.4531(8) 0.5278(4) 0.028(2) Uani 1 1 d .
H38A H 0.0922 -0.4428 0.5061 0.042 Uiso 1 1 calc R
H38B H 0.1898 -0.3859 0.5502 0.042 Uiso 1 1 calc R
H38C H 0.1648 -0.5158 0.5549 0.042 Uiso 1 1 calc R
H2 H 0.9272 0.1763 0.5683 0.027 Uiso 1 1 d .
H3 H 1.0713 0.3122 0.5829 0.036 Uiso 1 1 d .
H3A H 0.4994 -0.3553 0.4715 0.026 Uiso 1 1 d .
H4 H 1.0431 0.4646 0.6397 0.036 Uiso 1 1 d .
H5 H 0.8761 0.4777 0.6906 0.027 Uiso 1 1 d .
H6 H 0.3114 -0.4282 0.4875 0.031 Uiso 1 1 d .
H8 H 0.7055 0.4863 0.7342 0.029 Uiso 1 1 d .
H9 H 0.5484 0.4569 0.7888 0.031 Uiso 1 1 d .
H10 H 0.438 0.2957 0.7726 0.037 Uiso 1 1 d .
H11 H 0.4936 0.1655 0.706 0.032 Uiso 1 1 d .
H14 H 0.6894 -0.1358 0.4787 0.026 Uiso 1 1 d .
H17 H 0.3934 -0.128 0.6106 0.032 Uiso 1 1 d .
H21 H -0.1377 -0.9378 0.3756 0.032 Uiso 1 1 d .
H22 H -0.284 -1.0718 0.3629 0.042 Uiso 1 1 d .
H23 H -0.2613 -1.2241 0.3025 0.036 Uiso 1 1 d .
H24 H -0.0913 -1.2375 0.2529 0.032 Uiso 1 1 d .
H27 H 0.0678 -1.2426 0.2039 0.03 Uiso 1 1 d .
H28 H 0.2351 -1.2175 0.154 0.03 Uiso 1 1 d .
H29 H 0.3564 -1.0624 0.1771 0.038 Uiso 1 1 d .
H30 H 0.2991 -0.9349 0.2452 0.03 Uiso 1 1 d .
H33 H 0.1046 -0.6398 0.4726 0.025 Uiso 1 1 d .
H36 H 0.407 -0.65 0.3432 0.026 Uiso 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 for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(Vol. C, Table 6.1.1.4)
;
N N 0.0061 0.0033
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
O O 0.0106 0.0060
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Pt Pt -1.7033 8.3905
;
International Tables for Crystallography
(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
N1 Pt1 C1 80.4(4)
N1 Pt1 N2 172.1(4)
C1 Pt1 N2 105.6(4)
N1 Pt1 O1 95.9(3)
C1 Pt1 O1 175.1(3)
N2 Pt1 O1 78.4(3)
C20 Pt2 N4 80.6(4)
C20 Pt2 N5 105.6(4)
N4 Pt2 N5 173.1(4)
C20 Pt2 O3 175.7(3)
N4 Pt2 O3 95.9(3)
N5 Pt2 O3 78.0(3)
C12 O1 Pt1 114.3(6)
C31 O3 Pt2 114.9(6)
C7 N1 C11 119.9(8)
C7 N1 Pt1 116.9(7)
C11 N1 Pt1 123.1(7)
C13 N2 C18 118.4(8)
C13 N2 Pt1 117.4(7)
C18 N2 Pt1 124.2(6)
C15 N3 C19 122.2(8)
C15 N3 H3A 118.8
C19 N3 H3A 119
C30 N4 C26 119.2(8)
C30 N4 Pt2 123.1(7)
C26 N4 Pt2 117.7(7)
C32 N5 C37 117.4(8)
C32 N5 Pt2 117.3(6)
C37 N5 Pt2 125.3(6)
C34 N6 C38 125.4(9)
C34 N6 H6 117.3
C38 N6 H6 117.4
C6 C1 C2 116.4(9)
C6 C1 Pt1 114.0(8)
C2 C1 Pt1 129.6(7)
C3 C2 C1 120.3(9)
C3 C2 H2 119.7
C1 C2 H2 120
C4 C3 C2 120.9(10)
C4 C3 H3 119.8
C2 C3 H3 119.2
C3 C4 C5 119.9(10)
C3 C4 H4 119.9
C5 C4 H4 120.2
C6 C5 C4 120.4(9)
C6 C5 H5 119.9
C4 C5 H5 119.7
C5 C6 C1 122.0(10)
C5 C6 C7 122.7(9)
C1 C6 C7 114.9(9)
N1 C7 C8 118.9(9)
N1 C7 C6 113.1(8)
C8 C7 C6 128.0(9)
C9 C8 C7 121.3(9)
C9 C8 H8 119.3
C7 C8 H8 119.5
C8 C9 C10 118.4(9)
C8 C9 H9 120.9
C10 C9 H9 120.6
C11 C10 C9 119.5(10)
C11 C10 H10 120.3
C9 C10 H10 120.2
N1 C11 C10 121.9(9)
N1 C11 H11 118.9
C10 C11 H11 119.2
O1 C12 C17 126.4(10)
O1 C12 C13 114.7(8)
C17 C12 C13 118.8(9)
N2 C13 C14 127.6(9)
N2 C13 C12 114.6(8)
C14 C13 C12 117.7(8)
C15 C14 C13 121.3(9)
C15 C14 H14 119.1
C13 C14 H14 119.5
N3 C15 C14 124.9(9)
N3 C15 C16 114.1(8)
C14 C15 C16 120.9(8)
O2 C16 C17 126.7(10)
O2 C16 C15 117.0(9)
C17 C16 C15 116.0(9)
C12 C17 C16 125.1(10)
C12 C17 H17 117.5
C16 C17 H17 117.4
N2 C18 H18A 109.5
N2 C18 H18B 109.5
H18A C18 H18B 109.5
N2 C18 H18C 109.5
H18A C18 H18C 109.5
H18B C18 H18C 109.5
N3 C19 H19A 109.5
N3 C19 H19B 109.5
H19A C19 H19B 109.5
N3 C19 H19C 109.5
H19A C19 H19C 109.5
H19B C19 H19C 109.5
C21 C20 C25 115.5(9)
C21 C20 Pt2 130.7(7)
C25 C20 Pt2 113.7(7)
C20 C21 C22 122.0(9)
C20 C21 H21 119.1
C22 C21 H21 118.9
C23 C22 C21 120.7(11)
C23 C22 H22 119.6
C21 C22 H22 119.7
C22 C23 C24 117.6(10)
C22 C23 H23 121.3
C24 C23 H23 121.1
C25 C24 C23 122.3(10)
C25 C24 H24 119.1
C23 C24 H24 118.6
C24 C25 C20 121.5(10)
C24 C25 C26 124.1(10)
C20 C25 C26 114.4(9)
N4 C26 C27 121.6(10)
N4 C26 C25 113.0(9)
C27 C26 C25 125.3(10)
C28 C27 C26 118.2(9)
C28 C27 H27 120.6
C26 C27 H27 121.1
C27 C28 C29 119.7(9)
C27 C28 H28 120.1
C29 C28 H28 120.2
C30 C29 C28 117.8(10)
C30 C29 H29 121
C28 C29 H29 121.2
N4 C30 C29 123.3(9)
N4 C30 H30 118.4
C29 C30 H30 118.3
O3 C31 C36 127.0(9)
O3 C31 C32 114.7(8)
C36 C31 C32 118.4(8)
N5 C32 C33 125.7(9)
N5 C32 C31 114.1(8)
C33 C32 C31 120.3(8)
C34 C33 C32 119.5(9)
C34 C33 H33 120.2
C32 C33 H33 120.3
N6 C34 C33 124.2(10)
N6 C34 C35 114.7(9)
C33 C34 C35 121.0(9)
O4 C35 C36 126.5(10)
O4 C35 C34 117.7(9)
C36 C35 C34 115.7(9)
C31 C36 C35 125.0(9)
C31 C36 H36 117.9
C35 C36 H36 117.1
N5 C37 H37A 109.5
N5 C37 H37B 109.5
H37A C37 H37B 109.5
N5 C37 H37C 109.5
H37A C37 H37C 109.5
H37B C37 H37C 109.5
N6 C38 H38A 109.5
N6 C38 H38B 109.5
H38A C38 H38B 109.5
N6 C38 H38C 109.5
H38A C38 H38C 109.5
H38B C38 H38C 109.5
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
Pt1 N1 1.995(7)
Pt1 C1 1.996(10)
Pt1 N2 2.009(7)
Pt1 O1 2.101(7)
Pt2 C20 1.988(10)
Pt2 N4 1.989(8)
Pt2 N5 2.012(7)
Pt2 O3 2.107(7)
O1 C12 1.283(11)
O2 C16 1.235(12)
O3 C31 1.282(10)
O4 C35 1.214(12)
N1 C7 1.347(12)
N1 C11 1.349(13)
N2 C13 1.285(12)
N2 C18 1.461(12)
N3 C15 1.325(11)
N3 C19 1.450(12)
N3 H3A 0.8797
N4 C30 1.333(13)
N4 C26 1.341(13)
N5 C32 1.314(12)
N5 C37 1.486(12)
N6 C34 1.320(12)
N6 C38 1.412(12)
N6 H6 0.881
C1 C6 1.395(13)
C1 C2 1.422(14)
C2 C3 1.407(14)
C2 H2 0.9466
C3 C4 1.342(14)
C3 H3 0.9499
C4 C5 1.389(15)
C4 H4 0.951
C5 C6 1.372(14)
C5 H5 0.951
C6 C7 1.459(14)
C7 C8 1.404(13)
C8 C9 1.361(15)
C8 H8 0.949
C9 C10 1.377(15)
C9 H9 0.9462
C10 C11 1.371(13)
C10 H10 0.9515
C11 H11 0.9506
C12 C17 1.345(14)
C12 C13 1.528(13)
C13 C14 1.428(13)
C14 C15 1.342(13)
C14 H14 0.9468
C15 C16 1.548(14)
C16 C17 1.377(13)
C17 H17 0.95
C18 H18A 0.98
C18 H18B 0.98
C18 H18C 0.98
C19 H19A 0.98
C19 H19B 0.98
C19 H19C 0.98
C20 C21 1.399(14)
C20 C25 1.423(13)
C21 C22 1.411(15)
C21 H21 0.9462
C22 C23 1.365(15)
C22 H22 0.951
C23 C24 1.407(15)
C23 H23 0.947
C24 C25 1.354(15)
C24 H24 0.9516
C25 C26 1.457(15)
C26 C27 1.410(13)
C27 C28 1.386(15)
C27 H27 0.944
C28 C29 1.399(15)
C28 H28 0.9483
C29 C30 1.382(14)
C29 H29 0.9515
C30 H30 0.952
C31 C36 1.323(14)
C31 C32 1.523(12)
C32 C33 1.403(12)
C33 C34 1.396(14)
C33 H33 0.949
C34 C35 1.521(15)
C35 C36 1.424(13)
C36 H36 0.9513
C37 H37A 0.98
C37 H37B 0.98
C37 H37C 0.98
C38 H38A 0.98
C38 H38B 0.98
C38 H38C 0.98
