#------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/13/2001372.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_2001372
loop_
_publ_author_name
'Bailey, J. A.'
'Catalano, V. J.'
'Gray, H. B.'
_publ_section_title
;
 A monodentate 1,3-diphenyl-2-triazeno terpyridineplatinum(II) complex
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1598
_journal_page_last               1602
_journal_paper_doi               10.1107/S0108270193002215
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         ' 2(C27 H21 N6 Pt1),2(Cl1 O4),2(C3 H7 N1 O1)'
_chemical_formula_sum            'C60 H56 Cl2 N14 O10 Pt2'
_chemical_formula_weight         1594.30
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_type_scat_source           'Cromer (1974);Cromer & Waber (1974)'
_cell_angle_alpha                90.
_cell_angle_beta                 92.34(2)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   15.610(4)
_cell_length_b                   14.809(5)
_cell_length_c                   25.918(9)
_cell_measurement_reflns_used    24
_cell_measurement_temperature    130
_cell_measurement_theta_max      12.42
_cell_measurement_theta_min      6.35
_cell_volume                     5986(3)
_diffrn_measurement_device       'Nicolet R3m/V'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            10552
_diffrn_reflns_theta_max         25
_diffrn_standards_decay_%        .0
_diffrn_standards_interval_count 198
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    4.830
_exptl_absorpt_correction_T_max  0.833
_exptl_absorpt_correction_T_min  0.806
_exptl_absorpt_correction_type   refdelf
_exptl_crystal_colour            Red/brown
_exptl_crystal_density_diffrn    1.77
_exptl_crystal_description       Rods
_refine_diff_density_max         1.63
_refine_diff_density_min         -1.19
_refine_ls_goodness_of_fit_obs   1.09
_refine_ls_hydrogen_treatment    'see below'
_refine_ls_number_parameters     476
_refine_ls_number_reflns         6961
_refine_ls_R_factor_obs          0.056
_refine_ls_shift/esd_max         '0.11 for C(33); 0.02 for all others'
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[σ²(F)+0.0004F²]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.058
_reflns_number_observed          6961
_reflns_number_total             10552
_reflns_observed_criterion       F>4\s(F)
_cod_data_source_file            hh1046.cif
_cod_data_source_block           hh1046_structure_1_of_1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1/[\s^2^(F)+0.0004F^2^]' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to 'w =
1/[\s^2^(F)+0.0004F^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_database_code               2001372
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Pt(1) .12120(10) .04870(10) .19940(10) .00230(10)
Pt(2) -.43750(10) .08210(10) .19470(10) .00220(10)
Cl(1) .1322(2) .1770(2) .02750(10) .00340(10)
Cl(2) .6442(2) .1817(2) .04050(10) .00350(10)
O(1) .0472(7) .1915(8) .0079(5) .0079(5)
O(2) .1889(8) .2368(7) .0032(4) .0073(5)
O(3) .1389(7) .1921(8) .0823(3) .0068(5)
O(4) .1556(7) .0860(6) .0173(4) .0061(4)
O(5) .6483(8) .1881(10) .0943(4) .0096(6)
O(6) .6886(10) .2517(10) .0187(6) .0117(7)
O(7) .5567(7) .1778(9) .0212(4) .0091(6)
O(8) .6842(7) .0974(8) .0267(5) .0082(5)
N(1) .0127(6) .0657(7) .1549(4) .0028(4)
N(2) .1451(6) -.0344(7) .1439(4) .0025(3)
N(3) .2393(6) .0057(7) .2235(3) .0025(3)
N(4) .0967(6) .1367(7) .2582(3) .0025(3)
N(5) .0723(6) .1053(7) .3036(4) .0030(4)
N(6) .0758(7) .0195(8) .3080(4) .0035(4)
N(7) -.5249(6) .1686(7) .2221(3) .0026(3)
N(8) -.5261(7) .0700(6) .1403(3) .0026(3)
N(9) -.3795(6) -.0090(7) .1489(3) .0026(3)
N(10) -.3450(6) .0949(6) .2515(4) .0024(3)
N(11) -.3401(6) .0421(7) .2932(3) .0019(3)
N(12) -.4015(6) -.0153(7) .2968(4) .0028(4)
C(1) -.0544(8) .1191(9) .1640(5) .0030(3)
C(2) -.1252(8) .1257(9) .1303(5) .0034(3)
C(3) -.1274(9) .0709(9) .0865(5) .0039(4)
C(4) -.0602(8) .0163(9) .0774(5) .0036(3)
C(5) .0086(8) .0106(9) .1111(4) .0026(3)
C(6) .0856(8) -.0450(9) .1050(4) .0025(3)
C(7) .1003(8) -.1071(9) .0668(5) .0032(3)
C(8) .1760(9) -.1519(10) .0679(5) .0042(4)
C(9) .2386(8) -.1382(9) .1068(5) .0031(3)
C(10) .2215(8) -.0792(9) .1456(4) .0026(3)
C(11) .2748(8) -.0549(8) .1913(4) .0026(3)
C(12) .3572(8) -.0876(9) .2010(4) .0027(3)
C(13) .4050(8) -.0562(8) .2441(5) .0031(3)
C(14) .3668(8) .0048(8) .2775(4) .0026(3)
C(15) .2849(8) .0354(8) .2661(4) .0026(3)
C(16) .1016(8) .2299(8) .2537(4) .0025(3)
C(17) .0931(8) .2875(8) .2962(5) .0029(3)
C(18) .0967(9) .3806(10) .2895(5) .0040(4)
C(19) .1088(9) .4202(10) .2406(5) .0044(4)
C(20) .1158(9) .3605(9) .1992(5) .0041(4)
C(21) .1128(8) .2688(9) .2056(5) .0033(3)
C(22) .0438(9) -.0098(9) .3552(5) .0035(3)
C(23) .0617(8) -.1009(9) .3700(5) .0035(3)
C(24) .0266(9) -.1342(10) .4140(5) .0042(4)
C(25) -.0280(10) -.0856(11) .4428(6) .0052(4)
C(26) -.0465(11) .0021(12) .4284(6) .0061(5)
C(27) -.0132(9) .0399(10) .3849(5) .0041(4)
C(28) -.5208(9) .2144(9) .2663(5) .0035(3)
C(29) -.5864(8) .2669(9) .2814(5) .0034(3)
C(30) -.6617(9) .2741(9) .2512(5) .0035(3)
C(31) -.6661(8) .2247(9) .2052(5) .0034(3)
C(32) -.5974(7) .1742(8) .1904(4) .0021(3)
C(33) -.5984(8) .1196(8) .1448(4) .0027(3)
C(34) -.6639(8) .1084(9) .1064(5) .0031(3)
C(35) -.6516(9) .0474(9) .0669(5) .0038(3)
C(36) -.5785(8) -.0008(9) .0640(5) .0031(3)
C(37) -.5134(8) .0102(8) .1023(4) .0026(3)
C(38) -.4298(8) -.0341(9) .1075(5) .0031(3)
C(39) -.3999(8) -.0939(9) .0718(5) .0035(3)
C(40) -.3195(9) -.1297(9) .0781(5) .0038(3)
C(41) -.2687(9) -.1072(9) .1202(5) .0039(4)
C(42) -.3007(8) -.0447(8) .1550(5) .0029(3)
C(43) -.2792(7) .1604(8) .2508(4) .0023(3)
C(44) -.2075(8) .1588(9) .2863(5) .0030(3)
C(45) -.1450(8) .2261(9) .2838(5) .0034(3)
C(46) -.1511(8) .2957(9) .2486(5) .0034(3)
C(47) -.2222(8) .2946(9) .2132(5) .0036(3)
C(48) -.2862(8) .2302(8) .2147(5) .0030(3)
C(49) -.3901(8) -.0689(8) .3415(4) .0027(3)
C(50) -.4618(9) -.1125(9) .3593(5) .0037(3)
C(51) -.4582(10) -.1667(10) .4020(5) .0047(4)
C(52) -.3800(9) -.1789(10) .4275(5) .0045(4)
C(53) -.3075(9) -.1388(9) .4112(5) .0037(3)
C(54) -.3115(8) -.0831(9) .3671(5) .0032(3)
N(13) .2612(9) .0416(10) .4298(5) .0064(4)
O(9) .3242(8) .1357(9) .3744(5) .0080(4)
C(55) .2005(12) .0299(13) .4681(7) .0090(6)
C(56) .3022(12) -.0407(13) .4130(7) .0090(7)
C(57) .2701(12) .1216(13) .4082(7) .0071(5)
N(14) .4297(8) .6469(8) .0769(4) .0044(3)
O(10) .4410(6) .7781(7) .1227(4) .0051(3)
C(58) .3393(9) .6373(11) .0852(6) .0056(4)
C(59) .4659(11) .5827(11) .0421(6) .0072(5)
C(60) .4707(11) .7162(11) .0952(6) .0060(5)
H(1A) -.0566 .1426 .1984 .0040
H(2A) -.1703 .1684 .1356 .0040
H(3A) -.1762 .0719 .0627 .0040
H(4A) -.0616 -.0211 .0471 .0040
H(7A) .0562 -.1197 .0409 .0040
H(8A) .1870 -.1934 .0405 .0040
H(9A) .2930 -.1685 .1069 .0040
H(12A) .3801 -.1323 .1785 .0040
H(13A) .4632 -.0754 .2506 .0040
H(14A) .3974 .0251 .3082 .0040
H(15A) .2590 .0785 .2884 .0040
H(17A) .0855 .2623 .3298 .0040
H(18A) .0904 .4186 .3191 .0040
H(19A) .1114 .4844 .2360 .0040
H(20A) .1227 .3844 .1652 .0040
H(21A) .1179 .2301 .1762 .0040
H(23A) .0975 -.1382 .3496 .0040
H(24A) .0426 -.1940 .4249 .0040
H(25A) -.0544 -.1125 .4718 .0040
H(26A) -.0820 .0392 .4493 .0040
H(27A) -.0281 .1002 .3744 .0040
H(28A) -.4707 .2104 .2889 .0040
H(29A) -.5812 .3009 .3129 .0040
H(30A) -.7084 .3112 .2616 .0040
H(31A) -.7173 .2265 .1835 .0040
H(34A) -.7159 .1429 .1073 .0040
H(35A) -.6964 .0389 .0409 .0040
H(36A) -.5710 -.0420 .0360 .0040
H(39A) -.4356 -.1096 .0421 .0040
H(40A) -.2994 -.1714 .0529 .0040
H(41A) -.2124 -.1324 .1256 .0040
H(42A) -.2652 -.0264 .1842 .0040
H(44A) -.2029 .1124 .3121 .0040
H(45A) -.0954 .2230 .3070 .0040
H(46A) -.1094 .3434 .2489 .0040
H(47A) -.2256 .3393 .1864 .0040
H(48A) -.3363 .2348 .1921 .0040
H(50A) -.5159 -.1033 .3411 .0040
H(51A) -.5086 -.1966 .4136 .0040
H(52A) -.3762 -.2160 .4578 .0040
H(53A) -.2540 -.1492 .4298 .0040
H(54A) -.2602 -.0554 .3554 .0040
H(55A) .1775 .0877 .4768 .0060
H(55B) .1550 -.0085 .4551 .0060
H(55C) .2275 .0030 .4982 .0060
H(56A) .3424 -.0263 .3871 .0060
H(56B) .3318 -.0694 .4418 .0060
H(56C) .2592 -.0809 .3986 .0060
H(57A) .2336 .1699 .4185 .0060
H(58A) .3222 .6833 .1088 .0060
H(58B) .3073 .6437 .0530 .0060
H(58C) .3284 .5789 .0997 .0060
H(59A) .5258 .5954 .0395 .0060
H(59B) .4589 .5226 .0553 .0060
H(59C) .4377 .5874 .0086 .0060
H(60A) .5300 .7211 .0870 .0060
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_publ_flag
N(1) Pt(1) N(2) 80.7(4) yes
N(1) Pt(1) N(3) 160.8(4) yes
N(2) Pt(1) N(3) 80.1(4) yes
N(1) Pt(1) N(4) 99.6(4) yes
N(2) Pt(1) N(4) 179.6(5) yes
N(3) Pt(1) N(4) 99.5(4) yes
N(7) Pt(2) N(8) 80.9(4) yes
N(7) Pt(2) N(9) 161.4(4) yes
N(8) Pt(2) N(9) 80.5(4) yes
N(7) Pt(2) N(10) 99.0(4) yes
N(8) Pt(2) N(10) 180.0(5) yes
N(9) Pt(2) N(10) 99.6(4) yes
O(1) Cl(1) O(2) 109.8(7) no
O(1) Cl(1) O(3) 111.1(7) no
O(2) Cl(1) O(3) 108.7(7) no
O(1) Cl(1) O(4) 108.7(7) no
O(2) Cl(1) O(4) 109.8(7) no
O(3) Cl(1) O(4) 108.7(7) no
O(5) Cl(2) O(6) 110.7(9) no
O(5) Cl(2) O(7) 110.7(7) no
O(6) Cl(2) O(7) 112.0(8) no
O(5) Cl(2) O(8) 107.6(8) no
O(6) Cl(2) O(8) 108.6(8) no
O(7) Cl(2) O(8) 107.1(7) no
Pt(1) N(1) C(1) 128.0(8) yes
Pt(1) N(1) C(5) 113.6(8) yes
C(1) N(1) C(5) 118.4(10) yes
Pt(1) N(2) C(6) 118.6(8) yes
Pt(1) N(2) C(10) 118.7(7) yes
C(6) N(2) C(10) 122.7(10) yes
Pt(1) N(3) C(11) 114.1(7) yes
Pt(1) N(3) C(15) 125.9(8) yes
C(11) N(3) C(15) 119.9(10) yes
Pt(1) N(4) N(5) 120.1(8) yes
Pt(1) N(4) C(16) 123.8(7) yes
N(5) N(4) C(16) 116.1(10) yes
N(4) N(5) N(6) 114.4(10) yes
N(5) N(6) C(22) 111.7(10) yes
Pt(2) N(7) C(28) 128.0(8) yes
Pt(2) N(7) C(32) 112.4(7) yes
C(28) N(7) C(32) 119.5(10) yes
Pt(2) N(8) C(33) 117.3(7) yes
Pt(2) N(8) C(37) 118.0(8) yes
C(33) N(8) C(37) 124.6(10) yes
Pt(2) N(9) C(38) 112.8(8) yes
Pt(2) N(9) C(42) 128.3(8) yes
C(38) N(9) C(42) 118.9(10) yes
Pt(2) N(10) N(11) 123.3(7) yes
Pt(2) N(10) C(43) 123.5(7) yes
N(11) N(10) C(43) 113.2(9) yes
N(1) C(1) C(2) 122.8(11) yes
C(1) C(2) C(3) 117.7(12) yes
C(2) C(3) C(4) 119.7(12) yes
C(3) C(4) C(5) 121.5(12) yes
N(1) C(5) C(4) 119.7(11) yes
N(1) C(5) C(6) 113.7(10) yes
C(4) C(5) C(6) 126.4(11) no
N(2) C(6) C(5) 113.3(10) no
N(2) C(6) C(7) 119.0(11) no
C(5) C(6) C(7) 127.7(11) no
C(6) C(7) C(8) 118.8(12) no
C(7) C(8) C(9) 122.0(13) no
C(8) C(9) C(10) 118.3(12) no
N(2) C(10) C(9) 119.0(11) no
N(2) C(10) C(11) 111.9(10) no
C(9) C(10) C(11) 129.1(11) no
N(3) C(11) C(10) 115.2(10) no
N(3) C(11) C(12) 121.2(10) no
C(10) C(11) C(12) 123.5(11) no
C(11) C(12) C(13) 119.2(11) no
C(12) C(13) C(14) 118.8(11) yes
C(13) C(14) C(15) 119.7(11) yes
N(3) C(15) C(14) 121.1(11) yes
N(4) C(16) C(17) 122.0(10) yes
N(4) C(16) C(21) 119.8(11) yes
C(17) C(16) C(21) 118.2(11) yes
C(16) C(17) C(18) 119.9(11) no
C(17) C(18) C(19) 122.0(13) no
C(18) C(19) C(20) 116.3(13) no
C(19) C(20) C(21) 122.1(13) no
C(16) C(21) C(20) 121.6(12) no
N(6) C(22) C(23) 116.9(12) yes
N(6) C(22) C(27) 124.7(12) yes
C(23) C(22) C(27) 117.9(12) no
C(22) C(23) C(24) 118.8(12) no
C(23) C(24) C(25) 122.9(14) no
C(24) C(25) C(26) 118.7(14) no
C(25) C(26) C(27) 121.3(15) no
C(22) C(27) C(26) 120.3(14) no
N(7) C(28) C(29) 122.0(12) yes
C(28) C(29) C(30) 120.9(12) no
C(29) C(30) C(31) 116.8(12) no
C(30) C(31) C(32) 120.8(11) no
N(7) C(32) C(31) 120.0(10) yes
N(7) C(32) C(33) 116.1(10) yes
C(31) C(32) C(33) 123.7(10) yes
N(8) C(33) C(32) 113.3(10) yes
N(8) C(33) C(34) 117.3(11) yes
C(32) C(33) C(34) 129.3(11) no
C(33) C(34) C(35) 118.8(12) no
N(10) N(11) N(12) 115.3(9) no
N(11) N(12) C(49) 111.2(9) no
N(8) C(37) C(36) 118.1(11) yes
N(8) C(37) C(38) 112.7(10) yes
C(36) C(37) C(38) 129.2(11) yes
N(9) C(38) C(37) 115.8(11) yes
N(9) C(38) C(39) 120.5(11) yes
C(37) C(38) C(39) 123.6(11) yes
C(38) C(39) C(40) 120.4(12) yes
C(39) C(40) C(41) 120.1(13) yes
C(40) C(41) C(42) 117.8(12) no
N(9) C(42) C(41) 122.3(11) no
N(10) C(43) C(44) 122.3(10) no
N(10) C(43) C(48) 118.7(10) no
C(44) C(43) C(48) 119.0(11) yes
C(43) C(44) C(45) 119.5(11) yes
C(44) C(45) C(46) 122.2(12) yes
C(45) C(46) C(47) 117.0(12) yes
C(46) C(47) C(48) 122.6(12) no
C(34) C(35) C(36) 121.9(12) no
C(35) C(36) C(37) 119.3(12) no
C(43) C(48) C(47) 119.6(11) no
N(12) C(49) C(50) 117.3(11) yes
N(12) C(49) C(54) 123.9(11) yes
C(50) C(49) C(54) 118.7(11) no
C(49) C(50) C(51) 122.4(13) no
C(50) C(51) C(52) 118.1(14) no
C(51) C(52) C(53) 121.8(13) no
C(52) C(53) C(54) 119.9(12) no
C(49) C(54) C(53) 119.0(12) no
C(55) N(13) C(56) 115.2(15) no
C(55) N(13) C(57) 119.6(15) no
C(56) N(13) C(57) 124.8(15) no
N(13) C(57) O(9) 122.0(17) no
C(58) N(14) C(59) 116.0(12) no
C(58) N(14) C(60) 119.8(13) no
C(59) N(14) C(60) 123.7(13) no
N(14) C(60) O(10) 126.7(16) no
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
Pt(1) N(1) 2.025(10) yes
Pt(1) N(2) 1.941(10) yes
Pt(1) N(3) 2.025(10) yes
Pt(1) N(4) 2.052(10) yes
Pt(2) N(7) 2.021(10) yes
Pt(2) N(8) 1.943(9) yes
Pt(2) N(9) 2.034(10) yes
Pt(2) N(10) 2.026(9) yes
Cl(1) O(1) 1.418(11) no
Cl(1) O(2) 1.418(12) no
Cl(1) O(3) 1.439(10) no
Cl(1) O(4) 1.424(10) no
Cl(2) O(5) 1.397(10) no
Cl(2) O(6) 1.381(15) no
Cl(2) O(7) 1.436(12) no
Cl(2) O(8) 1.446(12) no
N(1) C(1) 1.341(16) yes
N(1) C(5) 1.398(15) yes
N(2) C(6) 1.352(15) yes
N(2) C(10) 1.363(15) yes
N(3) C(11) 1.359(15) yes
N(3) C(15) 1.363(15) yes
N(4) N(5) 1.334(14) yes
N(4) C(16) 1.388(16) yes
N(5) N(6) 1.278(16) yes
N(6) C(22) 1.407(17) yes
N(7) C(28) 1.332(15) yes
N(7) C(32) 1.373(14) yes
N(8) C(33) 1.355(16) yes
N(8) C(37) 1.346(15) yes
N(9) C(38) 1.354(15) yes
N(9) C(42) 1.343(15) yes
N(10) N(11) 1.335(13) yes
N(10) C(43) 1.414(15) yes
N(11) N(12) 1.287(14) yes
N(12) C(49) 1.409(15) yes
C(1) C(2) 1.383(17) yes
C(2) C(3) 1.395(18) yes
C(3) C(4) 1.354(19) yes
C(4) C(5) 1.359(17) yes
C(5) C(6) 1.472(17) yes
C(6) C(7) 1.377(17) yes
C(7) C(8) 1.356(19) yes
C(8) C(9) 1.390(18) yes
C(9) C(10) 1.366(17) yes
C(10) C(11) 1.466(16) yes
C(11) C(12) 1.388(17) yes
C(12) C(13) 1.397(16) yes
C(13) C(14) 1.401(17) yes
C(14) C(15) 1.377(17) yes
C(16) C(17) 1.404(17) no
C(16) C(21) 1.389(17) no
C(17) C(18) 1.391(19) no
C(18) C(19) 1.415(19) no
C(19) C(20) 1.40(2) no
C(20) C(21) 1.370(19) no
C(22) C(23) 1.426(19) no
C(22) C(27) 1.408(19) no
C(23) C(24) 1.376(19) no
C(24) C(25) 1.36(2) no
C(25) C(26) 1.38(2) no
C(26) C(27) 1.38(2) no
C(28) C(29) 1.355(19) yes
C(29) C(30) 1.390(18) yes
C(30) C(31) 1.396(18) yes
C(31) C(32) 1.375(17) yes
C(32) C(33) 1.432(16) yes
C(33) C(34) 1.407(17) yes
C(34) C(35) 1.384(18) yes
C(35) C(36) 1.351(19) yes
C(36) C(37) 1.400(17) yes
C(37) C(38) 1.462(17) yes
C(38) C(39) 1.376(18) yes
C(39) C(40) 1.366(19) yes
C(40) C(41) 1.364(18) yes
C(41) C(42) 1.397(18) yes
C(43) C(44) 1.420(16) no
C(43) C(48) 1.393(17) no
C(44) C(45) 1.398(18) no
C(45) C(46) 1.377(18) no
C(46) C(47) 1.411(18) no
C(47) C(48) 1.383(18) no
C(49) C(50) 1.387(18) no
C(49) C(54) 1.388(17) no
C(50) C(51) 1.368(19) no
C(51) C(52) 1.38(2) no
C(52) C(53) 1.36(2) no
C(53) C(54) 1.408(18) no
N(13) C(55) 1.41(2) no
N(13) C(56) 1.45(2) no
N(13) C(57) 1.32(2) no
O(9) C(57) 1.26(2) no
N(14) C(58) 1.443(19) no
N(14) C(59) 1.44(2) no
N(14) C(60) 1.29(2) no
O(10) C(60) 1.260(19) no
