#------------------------------------------------------------------------------
#$Date: 2016-03-23 03:45:23 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179261 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/81/4318122.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_4318122
loop_
_publ_author_name
'Jason Brooks'
'Yelizaveta Babayan'
'Sergey Lamansky'
'Peter I. Djurovich'
'Irina Tsyba'
'Robert Bau'
'Mark E. Thompson'
_publ_section_title
;
 Synthesis and Characterization of Phosphorescent Cyclometalated Platinum
 Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3055
_journal_page_last               3066
_journal_paper_doi               10.1021/ic0255508
_journal_volume                  41
_journal_year                    2002
_chemical_formula_sum            'C20 H25 N O2 Pt S'
_chemical_formula_weight         538.56
_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                110.487(2)
_cell_angle_beta                 91.959(3)
_cell_angle_gamma                108.925(3)
_cell_formula_units_Z            4
_cell_length_a                   10.7376(17)
_cell_length_b                   13.804(2)
_cell_length_c                   15.995(3)
_cell_measurement_reflns_used    4893
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      26.70
_cell_measurement_theta_min      2.36
_cell_volume                     2071.4(6)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_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      296(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0212
_diffrn_reflns_av_sigmaI/netI    0.0500
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            10636
_diffrn_reflns_theta_full        24.71
_diffrn_reflns_theta_max         24.71
_diffrn_reflns_theta_min         1.38
_exptl_absorpt_coefficient_mu    6.886
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            orange/yello
_exptl_crystal_density_diffrn    1.727
_exptl_crystal_density_meas      0
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1048
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.464
_refine_diff_density_min         -0.699
_refine_diff_density_rms         0.130
_refine_ls_extinction_coef       0.00000(8)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.986
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     399
_refine_ls_number_reflns         6983
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.986
_refine_ls_R_factor_all          0.0637
_refine_ls_R_factor_gt           0.0455
_refine_ls_shift/su_max          5.718
_refine_ls_shift/su_mean         0.099
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0575P)²+6.0570P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1118
_refine_ls_wR_factor_ref         0.1215
_reflns_number_gt                5237
_reflns_number_total             6983
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0255508_s2.cif
_cod_data_source_block           jir1m
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_cell_volume        2071.5(6)
_cod_database_code               4318122
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.15830(2) 0.593702(19) 0.168364(16) 0.05824(7) Uani 1 1 d . . .
Pt2 Pt 0.64924(3) 0.696713(19) 0.586177(16) 0.06101(8) Uani 1 1 d . . .
S1 S 0.1617(3) 0.28712(19) -0.04267(17) 0.1227(9) Uani 1 1 d . . .
S2 S 0.6029(3) 0.48334(19) 0.29960(15) 0.1207(10) Uani 1 1 d . . .
O1 O 0.0867(4) 0.7105(3) 0.2485(3) 0.0624(13) Uani 1 1 d . . .
O2 O 0.3479(4) 0.6959(4) 0.2157(3) 0.0694(14) Uani 1 1 d . . .
O3 O 0.5968(4) 0.7872(3) 0.7046(3) 0.0621(12) Uani 1 1 d . . .
O4 O 0.8297(4) 0.7293(3) 0.6493(3) 0.0700(13) Uani 1 1 d . . .
N1 N -0.0222(6) 0.4825(4) 0.1094(3) 0.0672(17) Uani 1 1 d . . .
N2 N 0.4728(6) 0.6555(4) 0.5111(3) 0.0707(17) Uani 1 1 d . . .
C1 C -0.1373(7) 0.4963(5) 0.1291(5) 0.074(2) Uani 1 1 d . . .
H1 H -0.1359 0.5613 0.1744 0.089 Uiso 1 1 calc R . .
C2 C -0.2594(7) 0.4133(6) 0.0816(5) 0.086(2) Uani 1 1 d . . .
H2 H -0.3408 0.4208 0.0931 0.103 Uiso 1 1 calc R . .
C3 C -0.2508(7) 0.3169(5) 0.0149(4) 0.071(2) Uani 1 1 d . . .
H3 H -0.3297 0.2587 -0.0169 0.085 Uiso 1 1 calc R . .
C4 C -0.1467(8) 0.3066(7) -0.0025(6) 0.098(3) Uiso 1 1 d . . .
H4 H -0.1486 0.2421 -0.0487 0.117 Uiso 1 1 calc R . .
C5 C -0.0246(8) 0.3863(5) 0.0433(4) 0.078(2) Uani 1 1 d . . .
C6 C 0.1079(8) 0.3866(5) 0.0328(4) 0.078(2) Uani 1 1 d . . .
C7 C 0.2120(8) 0.4766(5) 0.0874(4) 0.076(2) Uani 1 1 d . . .
C8 C 0.3358(9) 0.4642(6) 0.0689(5) 0.098(3) Uani 1 1 d . . .
H8 H 0.4185 0.5177 0.0995 0.118 Uiso 1 1 calc R . .
C9 C 0.3212(9) 0.3706(7) 0.0052(6) 0.107(3) Uani 1 1 d . . .
H9 H 0.3935 0.3505 -0.0132 0.128 Uiso 1 1 calc R . .
C10 C 0.0761(15) 0.8627(12) 0.4421(10) 0.213(7) Uiso 1 1 d . . .
H10A H -0.0144 0.8179 0.4400 0.319 Uiso 1 1 calc R . .
H10B H 0.0991 0.9336 0.4907 0.319 Uiso 1 1 calc R . .
H10C H 0.1349 0.8266 0.4517 0.319 Uiso 1 1 calc R . .
C11 C 0.1603(15) 0.9993(12) 0.3821(10) 0.208(7) Uiso 1 1 d . . .
H11A H 0.2289 1.0123 0.3461 0.312 Uiso 1 1 calc R . .
H11B H 0.1997 1.0314 0.4449 0.312 Uiso 1 1 calc R . .
H11C H 0.0979 1.0327 0.3730 0.312 Uiso 1 1 calc R . .
C12 C -0.0468(17) 0.8442(14) 0.3120(12) 0.254(9) Uiso 1 1 d . . .
H12A H -0.0830 0.7650 0.2814 0.381 Uiso 1 1 calc R . .
H12B H -0.0487 0.8780 0.2690 0.381 Uiso 1 1 calc R . .
H12C H -0.0992 0.8669 0.3572 0.381 Uiso 1 1 calc R . .
C13 C 0.0895(7) 0.8782(6) 0.3547(5) 0.080(2) Uani 1 1 d . . .
C14 C 0.1606(6) 0.8061(5) 0.3004(4) 0.0637(19) Uani 1 1 d . . .
C15 C 0.2991(7) 0.8486(5) 0.3117(5) 0.075(2) Uani 1 1 d . . .
H15 H 0.3393 0.9225 0.3506 0.089 Uiso 1 1 calc R . .
C16 C 0.3852(6) 0.7974(5) 0.2737(4) 0.066(2) Uani 1 1 d . . .
C17 C 0.5389(7) 0.8560(6) 0.2952(5) 0.086(2) Uani 1 1 d . . .
C18 C 0.5892(9) 0.8494(8) 0.2093(6) 0.115(3) Uiso 1 1 d . . .
H18A H 0.6838 0.8893 0.2218 0.173 Uiso 1 1 calc R . .
H18B H 0.5457 0.8814 0.1787 0.173 Uiso 1 1 calc R . .
H18C H 0.5707 0.7732 0.1716 0.173 Uiso 1 1 calc R . .
C19 C 0.5909(11) 0.8054(9) 0.3502(8) 0.144(4) Uiso 1 1 d . . .
H19A H 0.5916 0.7346 0.3112 0.216 Uiso 1 1 calc R . .
H19B H 0.5346 0.7959 0.3942 0.216 Uiso 1 1 calc R . .
H19C H 0.6801 0.8531 0.3805 0.216 Uiso 1 1 calc R . .
C20 C 0.5803(10) 0.9841(7) 0.3552(7) 0.119(3) Uiso 1 1 d . . .
H20A H 0.5518 0.9930 0.4128 0.179 Uiso 1 1 calc R . .
H20B H 0.5387 1.0175 0.3249 0.179 Uiso 1 1 calc R . .
H20C H 0.6756 1.0193 0.3642 0.179 Uiso 1 1 calc R . .
C21 C 0.3766(7) 0.6901(6) 0.5430(5) 0.079(2) Uani 1 1 d . . .
H21 H 0.3867 0.7332 0.6041 0.095 Uiso 1 1 calc R . .
C22 C 0.2596(9) 0.6616(7) 0.4846(6) 0.101(3) Uani 1 1 d . . .
H22 H 0.1942 0.6894 0.5070 0.121 Uiso 1 1 calc R . .
C23 C 0.2393(9) 0.5971(7) 0.3992(5) 0.096(3) Uani 1 1 d . . .
H23 H 0.1593 0.5778 0.3622 0.115 Uiso 1 1 calc R . .
C24 C 0.3350(9) 0.5583(6) 0.3647(5) 0.100(3) Uani 1 1 d . . .
H24 H 0.3211 0.5124 0.3040 0.120 Uiso 1 1 calc R . .
C25 C 0.4580(8) 0.5884(5) 0.4223(4) 0.082(3) Uani 1 1 d . . .
C26 C 0.5770(8) 0.5639(5) 0.4019(4) 0.078(2) Uani 1 1 d . . .
C27 C 0.6800(7) 0.6048(5) 0.4679(4) 0.071(2) Uani 1 1 d . . .
C28 C 0.7902(9) 0.5728(6) 0.4394(5) 0.098(3) Uani 1 1 d . . .
H28 H 0.8707 0.5928 0.4761 0.118 Uiso 1 1 calc R . .
C29 C 0.7572(10) 0.5075(7) 0.3487(6) 0.118(3) Uani 1 1 d . . .
H29 H 0.8161 0.4786 0.3165 0.141 Uiso 1 1 calc R . .
C30 C 0.6221(9) 0.8467(7) 0.9381(6) 0.112(3) Uiso 1 1 d . . .
H30A H 0.5844 0.7673 0.9154 0.168 Uiso 1 1 calc R . .
H30B H 0.5753 0.8771 0.9844 0.168 Uiso 1 1 calc R . .
H30C H 0.7147 0.8712 0.9631 0.168 Uiso 1 1 calc R . .
C31 C 0.6783(9) 1.0080(7) 0.8923(6) 0.109(3) Uiso 1 1 d . . .
H31A H 0.7682 1.0276 0.9203 0.164 Uiso 1 1 calc R . .
H31B H 0.6318 1.0441 0.9357 0.164 Uiso 1 1 calc R . .
H31C H 0.6797 1.0313 0.8422 0.164 Uiso 1 1 calc R . .
C32 C 0.4567(8) 0.8549(7) 0.8334(6) 0.097(3) Uiso 1 1 d . . .
H32A H 0.4371 0.8501 0.7728 0.145 Uiso 1 1 calc R . .
H32B H 0.4286 0.9105 0.8744 0.145 Uiso 1 1 calc R . .
H32C H 0.4101 0.7846 0.8370 0.145 Uiso 1 1 calc R . .
C33 C 0.6092(7) 0.8866(5) 0.8594(4) 0.0656(19) Uani 1 1 d . . .
C34 C 0.6700(6) 0.8284(4) 0.7807(4) 0.0520(16) Uani 1 1 d . . .
C35 C 0.7987(6) 0.8296(5) 0.7962(4) 0.065(2) Uani 1 1 d . . .
H35 H 0.8409 0.8640 0.8562 0.078 Uiso 1 1 calc R . .
C36 C 0.8708(6) 0.7870(5) 0.7350(4) 0.0629(18) Uani 1 1 d . . .
C37 C 1.0136(7) 0.7991(6) 0.7632(5) 0.078(2) Uani 1 1 d . . .
C38 C 1.0178(11) 0.6883(8) 0.7548(8) 0.141(4) Uiso 1 1 d . . .
H38A H 0.9793 0.6354 0.6943 0.211 Uiso 1 1 calc R . .
H38B H 0.9679 0.6639 0.7970 0.211 Uiso 1 1 calc R . .
H38C H 1.1087 0.6948 0.7677 0.211 Uiso 1 1 calc R . .
C39 C 1.1011(12) 0.8422(10) 0.7104(8) 0.167(5) Uiso 1 1 d . . .
H39A H 1.1914 0.8578 0.7351 0.251 Uiso 1 1 calc R . .
H39B H 1.0915 0.9091 0.7110 0.251 Uiso 1 1 calc R . .
H39C H 1.0798 0.7888 0.6493 0.251 Uiso 1 1 calc R . .
C40 C 1.0698(12) 0.8741(10) 0.8653(8) 0.158(5) Uiso 1 1 d . . .
H40A H 1.1515 0.8664 0.8824 0.237 Uiso 1 1 calc R . .
H40B H 1.0058 0.8519 0.9017 0.237 Uiso 1 1 calc R . .
H40C H 1.0866 0.9501 0.8743 0.237 Uiso 1 1 calc R . .
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'
S S 0.1246 0.1234 '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
_geom_angle_publ_flag
C7 Pt1 N1 81.7(3) . . ?
C7 Pt1 O2 92.1(2) . . ?
N1 Pt1 O2 173.4(2) . . ?
C7 Pt1 O1 175.6(2) . . ?
N1 Pt1 O1 93.94(19) . . ?
O2 Pt1 O1 92.26(16) . . ?
C27 Pt2 O4 93.4(3) . . ?
C27 Pt2 N2 80.9(3) . . ?
O4 Pt2 N2 174.2(2) . . ?
C27 Pt2 O3 174.2(2) . . ?
O4 Pt2 O3 92.28(17) . . ?
N2 Pt2 O3 93.5(2) . . ?
C9 S1 C6 88.8(4) . . ?
C29 S2 C26 89.1(4) . . ?
C14 O1 Pt1 123.4(4) . . ?
C16 O2 Pt1 124.8(4) . . ?
C34 O3 Pt2 122.9(4) . . ?
C36 O4 Pt2 123.7(4) . . ?
C1 N1 C5 119.8(6) . . ?
C1 N1 Pt1 124.9(4) . . ?
C5 N1 Pt1 115.2(5) . . ?
C21 N2 C25 121.2(6) . . ?
C21 N2 Pt2 123.7(4) . . ?
C25 N2 Pt2 115.1(5) . . ?
N1 C1 C2 120.2(6) . . ?
C3 C2 C1 115.6(7) . . ?
C4 C3 C2 123.3(7) . . ?
C3 C4 C5 122.7(8) . . ?
N1 C5 C4 118.4(8) . . ?
N1 C5 C6 111.6(5) . . ?
C4 C5 C6 130.0(7) . . ?
C7 C6 C5 118.0(6) . . ?
C7 C6 S1 111.6(6) . . ?
C5 C6 S1 130.4(5) . . ?
C6 C7 C8 111.2(6) . . ?
C6 C7 Pt1 113.4(6) . . ?
C8 C7 Pt1 135.3(5) . . ?
C9 C8 C7 112.8(8) . . ?
C8 C9 S1 115.5(8) . . ?
C12 C13 C11 111.2(11) . . ?
C12 C13 C14 112.1(9) . . ?
C11 C13 C14 115.5(8) . . ?
C12 C13 C10 104.0(11) . . ?
C11 C13 C10 104.2(9) . . ?
C14 C13 C10 108.8(9) . . ?
O1 C14 C15 125.7(6) . . ?
O1 C14 C13 115.4(6) . . ?
C15 C14 C13 118.9(5) . . ?
C16 C15 C14 129.4(6) . . ?
O2 C16 C15 124.4(6) . . ?
O2 C16 C17 112.5(6) . . ?
C15 C16 C17 123.1(6) . . ?
C18 C17 C19 117.1(9) . . ?
C18 C17 C16 108.4(6) . . ?
C19 C17 C16 106.7(7) . . ?
C18 C17 C20 106.2(7) . . ?
C19 C17 C20 107.3(7) . . ?
C16 C17 C20 111.2(7) . . ?
N2 C21 C22 119.6(7) . . ?
C23 C22 C21 121.9(9) . . ?
C22 C23 C24 119.8(8) . . ?
C23 C24 C25 119.7(7) . . ?
N2 C25 C24 117.6(8) . . ?
N2 C25 C26 111.6(6) . . ?
C24 C25 C26 130.7(7) . . ?
C27 C26 C25 118.8(6) . . ?
C27 C26 S2 113.7(7) . . ?
C25 C26 S2 127.5(5) . . ?
C26 C27 C28 113.3(7) . . ?
C26 C27 Pt2 113.6(6) . . ?
C28 C27 Pt2 133.1(5) . . ?
C29 C28 C27 108.4(8) . . ?
C28 C29 S2 115.5(8) . . ?
C31 C33 C34 110.1(6) . . ?
C31 C33 C32 110.5(7) . . ?
C34 C33 C32 112.2(5) . . ?
C31 C33 C30 109.6(6) . . ?
C34 C33 C30 109.9(6) . . ?
C32 C33 C30 104.3(6) . . ?
O3 C34 C35 125.6(6) . . ?
O3 C34 C33 114.3(5) . . ?
C35 C34 C33 120.0(5) . . ?
C36 C35 C34 128.5(6) . . ?
O4 C36 C35 126.7(6) . . ?
O4 C36 C37 111.5(6) . . ?
C35 C36 C37 121.8(6) . . ?
C39 C37 C38 109.7(9) . . ?
C39 C37 C36 111.8(8) . . ?
C38 C37 C36 109.5(6) . . ?
C39 C37 C40 108.4(8) . . ?
C38 C37 C40 104.0(8) . . ?
C36 C37 C40 113.1(7) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 C7 1.953(7) . ?
Pt1 N1 1.984(5) . ?
Pt1 O2 1.998(4) . ?
Pt1 O1 2.064(4) . ?
Pt2 C27 1.983(7) . ?
Pt2 O4 1.990(4) . ?
Pt2 N2 2.006(6) . ?
Pt2 O3 2.083(4) . ?
S1 C9 1.691(9) . ?
S1 C6 1.755(8) . ?
S2 C29 1.686(11) . ?
S2 C26 1.718(7) . ?
O1 C14 1.252(6) . ?
O2 C16 1.298(7) . ?
O3 C34 1.258(6) . ?
O4 C36 1.294(7) . ?
N1 C1 1.341(9) . ?
N1 C5 1.369(8) . ?
N2 C21 1.319(9) . ?
N2 C25 1.368(8) . ?
C1 C2 1.399(9) . ?
C2 C3 1.418(10) . ?
C3 C4 1.201(11) . ?
C4 C5 1.379(10) . ?
C5 C6 1.436(11) . ?
C6 C7 1.352(9) . ?
C7 C8 1.422(12) . ?
C8 C9 1.291(11) . ?
C10 C13 1.492(18) . ?
C11 C13 1.485(16) . ?
C12 C13 1.446(18) . ?
C13 C14 1.503(10) . ?
C14 C15 1.390(9) . ?
C15 C16 1.373(10) . ?
C16 C17 1.548(9) . ?
C17 C18 1.477(12) . ?
C17 C19 1.491(14) . ?
C17 C20 1.587(11) . ?
C21 C22 1.396(11) . ?
C22 C23 1.307(10) . ?
C23 C24 1.355(13) . ?
C24 C25 1.434(11) . ?
C25 C26 1.443(12) . ?
C26 C27 1.324(10) . ?
C27 C28 1.428(12) . ?
C28 C29 1.373(11) . ?
C30 C33 1.559(12) . ?
C31 C33 1.479(10) . ?
C32 C33 1.552(10) . ?
C33 C34 1.531(9) . ?
C34 C35 1.389(9) . ?
C35 C36 1.359(9) . ?
C36 C37 1.521(9) . ?
C37 C39 1.411(15) . ?
C37 C38 1.504(13) . ?
C37 C40 1.564(13) . ?
