#------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/46/2004693.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_2004693
loop_
_publ_author_name
'Gibson, D. H.'
'Bardon, R. F.'
'Mehta, J. M.'
'Mashuta, M. S.'
'Richardson, J. F.'
_publ_section_title
1-Carbonyl-2,2-cis-dicarbonyl-μ-formato-1C:2O,O'-1-nitrosyl-1-(η⁵-pentamethylcyclopentadienyl)-2,2-trans-bis(triphenylphosphine)dirhenium
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              852
_journal_page_last               854
_journal_paper_doi               10.1107/S010827019501376X
_journal_volume                  52
_journal_year                    1996
_chemical_formula_sum            'C50 H45 N O6 P2 Re2'
_chemical_formula_weight         1190.27
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_type_scat_source           'Cromer & Waber (1974)'
_cell_angle_alpha                90
_cell_angle_beta                 103.04(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.236(3)
_cell_length_b                   17.146(5)
_cell_length_c                   20.781(6)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296
_cell_measurement_theta_max      18.0
_cell_measurement_theta_min      15.0
_cell_volume                     4595(2)
_computing_cell_refinement       'Enraf-Nonius Diffractometer Control 1988'
_computing_data_collection       'Enraf-Nonius Diffractometer Control 1988'
_computing_data_reduction        TEXSAN
_computing_molecular_graphics    TEXSAN
_computing_publication_material  TEXSAN
_computing_structure_refinement  TEXSAN
_computing_structure_solution    'SAPI91 (Fan, 1991)'
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       'ω/2θ scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.019
_diffrn_reflns_limit_h_max       0
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            8766
_diffrn_reflns_theta_max         25.0
_diffrn_standards_decay_%        3.6
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    53.77
_exptl_absorpt_correction_T_max  0.340
_exptl_absorpt_correction_T_min  0.218
_exptl_absorpt_correction_type   'empirical, \y scans'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.721
_exptl_crystal_description       block
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.14
_refine_diff_density_max         1.04
_refine_diff_density_min         -1.03
_refine_ls_extinction_coef       2.68E-11
_refine_ls_extinction_method     Zachariasen
_refine_ls_goodness_of_fit_obs   1.59
_refine_ls_hydrogen_treatment    'noref, located from \D maps'
_refine_ls_number_parameters     543
_refine_ls_number_reflns         5545
_refine_ls_R_factor_obs          0.034
_refine_ls_shift/esd_max         0.03
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     w=1/σ²(F)
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.034
_reflns_number_observed          5546
_reflns_number_total             8559
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            bk1177.cif
_cod_data_source_block           bk1177a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value ' w=1/\s^2^(F)' 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)'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2004693
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2-y,1/2+z
-x,-y,-z
1/2-x,1/2+y,1/2-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_B_iso_or_equiv
Re(1) -0.28756(3) 0.08073(2) 0.17380(2) 4.60(1)
Re(2) 0.04831(2) 0.17480(2) 0.17337(1) 2.378(7)
P(1) 0.1056(2) 0.1078(1) 0.27784(10) 2.74(5)
P(2) -0.0058(2) 0.2415(1) 0.06848(9) 2.75(5)
O(1) -0.1045(4) 0.1853(3) 0.1954(2) 2.9(1)
O(2) -0.0716(4) 0.0837(3) 0.1428(2) 2.9(1)
O(3a) -0.3574(9) 0.2486(7) 0.1409(6) 6.9(3)
O(3b) -0.350(2) 0.244(2) 0.186(1) 9.5(8)
O(4a) -0.212(1) 0.0741(8) 0.3221(7) 8.3(4)
O(4b) -0.252(2) 0.103(1) 0.314(1) 5.7(5)
O(5) 0.1547(5) 0.3230(4) 0.2336(3) 4.9(2)
O(6) 0.2406(5) 0.1187(4) 0.1306(3) 5.4(2)
N(1a) -0.3268(8) 0.1821(7) 0.1637(5) 8.6(3)
C(1) -0.1382(6) 0.1187(5) 0.1690(4) 3.0(2)
C(4b) -0.273(2) 0.102(2) 0.252(1) 3.8(6)
C(4a) -0.239(1) 0.0791(9) 0.2654(7) 3.6(3)
C(5) 0.1172(6) 0.2646(5) 0.2095(4) 3.2(2)
C(6) 0.1684(6) 0.1427(5) 0.1479(4) 3.4(2)
C(7) -0.3203(8) -0.0503(5) 0.1543(5) 4.9(3)
C(8) -0.4150(8) -0.0138(7) 0.1575(5) 5.6(3)
C(9) -0.4401(7) 0.0406(6) 0.1060(6) 5.8(3)
C(10) -0.3611(9) 0.0367(6) 0.0696(5) 5.2(3)
C(11) -0.2867(7) -0.0201(6) 0.0988(5) 4.8(3)
C(12) -0.271(1) -0.1162(7) 0.1960(6) 9.6(4)
C(13) -0.483(1) -0.0338(8) 0.2039(6) 10.0(5)
C(14) -0.5359(9) 0.0912(8) 0.0882(8) 10.6(5)
C(15) -0.358(1) 0.0816(8) 0.0078(6) 10.3(5)
C(16) -0.1995(8) -0.0501(7) 0.0731(6) 7.9(4)
C(17) 0.0589(6) 0.0078(4) 0.2807(4) 3.1(2)
C(18) 0.0130(7) -0.0207(5) 0.3290(4) 4.4(2)
C(19) -0.0125(9) -0.0995(6) 0.3279(5) 5.8(3)
C(20) 0.0104(9) -0.1500(5) 0.2823(6) 6.2(3)
C(21) 0.0527(9) -0.1204(6) 0.2330(5) 6.1(3)
C(22) 0.0770(8) -0.0423(5) 0.2320(5) 5.0(3)
C(23) 0.0765(6) 0.1534(4) 0.3514(4) 3.1(2)
C(24) 0.1273(6) 0.1296(5) 0.4142(4) 3.8(2)
C(25) 0.1021(7) 0.1606(6) 0.4697(4) 4.5(2)
C(26) 0.0292(7) 0.2181(6) 0.4633(4) 4.9(3)
C(27) -0.0197(7) 0.2433(6) 0.4016(4) 5.1(3)
C(28) 0.0024(6) 0.2112(5) 0.3459(4) 3.7(2)
C(29) 0.2476(6) 0.0951(5) 0.3025(3) 3.0(2)
C(30) 0.3102(6) 0.1592(5) 0.3025(4) 4.4(2)
C(31) 0.4170(7) 0.1541(5) 0.3224(4) 4.8(2)
C(32) 0.4639(7) 0.0837(6) 0.3415(4) 4.7(2)
C(33) 0.4028(7) 0.0196(5) 0.3419(5) 4.8(3)
C(34) 0.2952(7) 0.0248(5) 0.3230(4) 4.3(2)
C(35) -0.0871(6) 0.1873(5) -0.0003(3) 2.9(2)
C(36) -0.1748(6) 0.2186(5) -0.0419(4) 3.5(2)
C(37) -0.2297(7) 0.1741(6) -0.0942(4) 4.6(2)
C(38) -0.1978(7) 0.1009(5) -0.1063(4) 4.3(2)
C(39) -0.1103(8) 0.0700(5) -0.0649(4) 4.9(2)
C(40) -0.0561(7) 0.1128(5) -0.0119(4) 3.9(2)
C(41) -0.0758(6) 0.3336(4) 0.0684(3) 2.8(2)
C(42) -0.1354(7) 0.3454(5) 0.1150(4) 3.9(2)
C(43) -0.1914(7) 0.4136(5) 0.1148(4) 4.5(2)
C(44) -0.1883(7) 0.4698(5) 0.0682(5) 4.6(2)
C(45) -0.1312(7) 0.4593(5) 0.0219(4) 3.9(2)
C(46) -0.0764(6) 0.3916(5) 0.0210(4) 3.6(2)
C(47) 0.1021(6) 0.2725(5) 0.0325(4) 3.2(2)
C(48) 0.1067(7) 0.2567(6) -0.0315(4) 4.9(3)
C(49) 0.1887(9) 0.2840(7) -0.0582(5) 6.3(3)
C(50) 0.2658(8) 0.3261(7) -0.0205(6) 6.1(3)
C(51) 0.2636(8) 0.3427(7) 0.0439(6) 7.2(3)
C(52) 0.1806(8) 0.3161(7) 0.0692(5) 6.0(3)
H(12b) -0.300 -0.125 0.233 11.520
H(12c) -0.196 -0.106 0.215 11.520
H(12a) -0.272 -0.164 0.172 11.520
H(13a) -0.504 0.015 0.223 12.000
H(13b) -0.550 -0.054 0.178 12.000
H(13c) -0.453 -0.067 0.235 12.000
H(14c) -0.601 0.062 0.075 12.720
H(14a) -0.544 0.127 0.122 12.720
H(14b) -0.536 0.125 0.049 12.720
H(15c) -0.413 0.119 -0.006 12.360
H(15a) -0.293 0.114 0.014 12.360
H(15b) -0.357 0.050 -0.030 12.360
H(16b) -0.189 -0.021 0.034 9.480
H(16c) -0.134 -0.047 0.105 9.480
H(16a) -0.208 -0.104 0.059 9.480
H(18) -0.023 0.016 0.364 5.280
H(19) -0.048 -0.120 0.362 6.960
H(20) -0.004 -0.205 0.281 7.440
H(21) 0.066 -0.157 0.199 7.320
H(22) 0.109 -0.022 0.197 6.000
H(24) 0.181 0.088 0.420 4.560
H(25) 0.137 0.142 0.513 5.400
H(26) 0.012 0.239 0.502 5.880
H(27) -0.072 0.285 0.398 6.120
H(28) -0.034 0.230 0.303 4.440
H(30) 0.278 0.208 0.274 5.280
H(31) 0.464 0.192 0.298 5.760
H(32) 0.549 0.077 0.358 5.640
H(33) 0.430 -0.037 0.343 5.760
H(34) 0.244 -0.024 0.326 5.160
H(36) -0.200 0.275 -0.025 4.200
H(37) -0.292 0.195 -0.123 5.520
H(38) -0.249 0.070 -0.143 5.160
H(39) -0.086 0.017 -0.073 5.880
H(40) 0.006 0.090 0.018 4.680
H(42) -0.123 0.316 0.157 4.680
H(43) -0.251 0.428 0.145 5.400
H(44) -0.230 0.519 0.066 5.520
H(45) -0.146 0.500 -0.019 4.680
H(46) -0.035 0.385 -0.014 4.320
H(48) 0.051 0.226 -0.060 5.880
H(49) 0.189 0.272 -0.104 7.560
H(50) 0.340 0.337 -0.038 7.320
H(51) 0.320 0.374 0.070 8.640
H(52) 0.181 0.329 0.114 7.200
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
O(1) C(1) O(2) 112.7(7) no
O(1) Re(2) O(2) 58.7(2) no
Re(1) C(1) O(1) 119.2(6) no
Re(1) C(1) O(2) 128.1(6) no
Re(2) O(1) C(1) 94.8(8) no
Re(2) O(2) C(1) 93.7(4) no
N(1a) Re(1) C(1) 86.8(4) no
N(1a) Re(1) C(4a) 99.1(6) no
N(1a) Re(1) C(8) 118.5(5) no
N(1a) Re(1) C(10) 99.0(4) no
C(1) Re(1) C(4b) 94.0(10) no
C(1) Re(1) C(7) 115.8(4) no
C(1) Re(1) C(9) 140.3(4) no
C(1) Re(1) C(11) 93.0(3) no
C(4b) Re(1) C(7) 111.0(10) no
C(4b) Re(1) C(9) 124.0(10) no
C(4b) Re(1) C(11) 144.0(10) no
C(4a) Re(1) C(8) 102.1(5) no
C(4a) Re(1) C(10) 159.0(5) no
C(7) Re(1) C(8) 35.7(3) no
C(7) Re(1) C(10) 59.4(3) no
C(8) Re(1) C(9) 35.5(3) no
C(8) Re(1) C(11) 59.6(3) no
C(9) Re(1) C(11) 60.1(3) no
P(1) Re(2) P(2) 178.94(7) no
P(1) Re(2) O(2) 88.90(10) no
P(1) Re(2) C(6) 90.1(2) no
P(2) Re(2) O(2) 91.60(10) no
P(2) Re(2) C(6) 88.9(2) no
O(1) Re(2) C(5) 103.9(3) no
N(1a) Re(1) C(4b) 82.0(10) no
N(1a) Re(1) C(7) 151.2(4) no
N(1a) Re(1) C(9) 91.5(4) no
N(1a) Re(1) C(11) 132.6(4) no
C(1) Re(1) C(4a) 86.8(5) no
C(1) Re(1) C(8) 150.8(4) no
C(1) Re(1) C(10) 105.0(3) no
C(4b) Re(1) C(4a) 18.0(10) no
C(4b) Re(1) C(8) 102.0(10) no
C(4b) Re(1) C(10) 160.0(10) no
C(4a) Re(1) C(7) 99.9(5) no
C(4a) Re(1) C(9) 132.5(5) no
C(4a) Re(1) C(11) 128.2(5) no
C(7) Re(1) C(9) 59.7(4) no
C(7) Re(1) C(11) 35.8(3) no
C(8) Re(1) C(10) 59.4(3) no
C(9) Re(1) C(10) 36.2(3) no
C(10) Re(1) C(11) 35.7(3) no
P(1) Re(2) O(1) 88.10(10) no
P(1) Re(2) C(5) 90.3(2) no
P(2) Re(2) O(1) 93.00(10) no
P(2) Re(2) C(5) 89.4(2) no
O(1) Re(2) C(6) 166.7(3) no
O(2) Re(2) C(5) 162.6(3) no
C(5) Re(2) C(6) 89.3(4) no
Re(2) P(1) C(23) 117.7(3) no
C(17) P(1) C(23) 103.7(4) no
C(23) P(1) C(29) 102.1(3) no
Re(2) P(2) C(41) 117.1(2) no
C(35) P(2) C(41) 103.2(3) no
C(41) P(2) C(47) 100.8(4) no
O(3a) O(3b) N(1a) 70(2) no
O(4b) O(4a) C(4a) 70(2) no
O(4a) O(4b) C(4b) 101(3) no
C(4b) O(4b) C(4a) 28.0(10) no
Re(1) N(1a) O(3b) 150.0(10) no
Re(1) C(4b) O(4b) 167(2) no
O(4a) C(4b) O(4b) 26.0(10) no
O(4b) C(4b) C(4a) 65(3) no
Re(1) C(4a) O(4b) 144.0(10) no
O(4a) C(4a) O(4b) 36.0(10) no
O(4b) C(4a) C(4b) 85(3) no
Re(2) C(6) O(6) 176.2(8) no
Re(1) C(7) C(11) 73.0(5) no
O(2) Re(2) C(6) 108.1(3) no
Re(2) P(1) C(17) 115.8(3) no
Re(2) P(1) C(29) 113.4(2) no
C(17) P(1) C(29) 102.1(4) no
Re(2) P(2) C(35) 117.7(3) no
Re(2) P(2) C(47) 114.0(2) no
C(35) P(2) C(47) 101.6(3) no
O(3b) O(3a) N(1a) 65(2) no
O(4b) O(4a) C(4b) 51(2) no
C(4b) O(4a) C(4a) 19.0(10) no
O(4a) O(4b) C(4a) 72(2) no
Re(1) N(1a) O(3a) 165.0(10) no
O(3a) N(1a) O(3b) 43.0(10) no
Re(1) C(4b) O(4a) 141(2) no
Re(1) C(4b) C(4a) 102(4) no
O(4a) C(4b) C(4a) 38(2) no
Re(1) C(4a) O(4a) 176.0(10) no
Re(1) C(4a) C(4b) 58(3) no
O(4a) C(4a) C(4b) 122(4) no
Re(2) C(5) O(5) 175.4(7) no
Re(1) C(7) C(8) 72.2(6) no
Re(1) C(7) C(12) 126.8(7) no
C(8) C(7) C(11) 108.6(9) no
C(11) C(7) C(12) 124.0(10) no
Re(1) C(8) C(9) 71.5(6) no
C(7) C(8) C(9) 108.5(9) no
C(9) C(8) C(13) 124.0(10) no
Re(1) C(9) C(10) 72.0(6) no
C(8) C(9) C(10) 107.4(10) no
C(10) C(9) C(14) 124.0(10) no
Re(1) C(10) C(11) 73.6(6) no
C(9) C(10) C(11) 109.0(9) no
C(11) C(10) C(15) 124.0(10) no
Re(1) C(11) C(10) 70.7(5) no
C(7) C(11) C(10) 106.5(8) no
C(10) C(11) C(16) 127.0(10) no
P(1) C(17) C(22) 116.2(6) no
C(17) C(18) C(19) 118.6(9) no
C(19) C(20) C(21) 118.6(9) no
C(17) C(22) C(21) 120.6(9) no
P(1) C(23) C(28) 120.9(6) no
C(23) C(24) C(25) 121.2(8) no
C(25) C(26) C(27) 119.6(8) no
C(23) C(28) C(27) 120.0(8) no
P(1) C(29) C(34) 123.5(6) no
C(29) C(30) C(31) 121.6(8) no
C(8) C(7) C(12) 126.0(10) no
Re(1) C(8) C(7) 72.1(5) no
Re(1) C(8) C(13) 126.3(7) no
C(7) C(8) C(13) 126.0(10) no
Re(1) C(9) C(8) 73.0(6) no
Re(1) C(9) C(14) 123.5(8) no
C(8) C(9) C(14) 127.0(10) no
Re(1) C(10) C(9) 71.8(6) no
Re(1) C(10) C(15) 123.5(7) no
C(9) C(10) C(15) 126.0(10) no
Re(1) C(11) C(7) 71.2(5) no
Re(1) C(11) C(16) 128.8(6) no
C(7) C(11) C(16) 125.0(10) no
P(1) C(17) C(18) 124.4(7) no
C(18) C(17) C(22) 119.3(8) no
C(18) C(19) C(20) 122.2(10) no
C(20) C(21) C(22) 120.5(9) no
P(1) C(23) C(24) 120.9(6) no
C(24) C(23) C(28) 118.2(7) no
C(24) C(25) C(26) 119.7(8) no
C(26) C(27) C(28) 121.3(9) no
P(1) C(29) C(30) 118.7(6) no
C(30) C(29) C(34) 117.8(7) no
C(30) C(31) C(32) 120.4(9) no
C(31) C(32) C(33) 118.6(8) no
C(29) C(34) C(33) 120.6(8) no
P(2) C(35) C(40) 117.3(6) no
C(35) C(36) C(37) 119.4(8) no
C(37) C(38) C(39) 119.2(8) no
C(35) C(40) C(39) 120.6(8) no
P(2) C(41) C(46) 122.5(6) no
C(41) C(42) C(43) 120.4(8) no
C(43) C(44) C(45) 121.0(8) no
C(41) C(46) C(45) 120.7(8) no
P(2) C(47) C(52) 119.7(6) no
C(47) C(48) C(49) 121.6(9) no
C(49) C(50) C(51) 119.7(10) no
C(47) C(52) C(51) 122.2(9) no
C(32) C(33) C(34) 121.1(8) no
P(2) C(35) C(36) 123.4(6) no
C(36) C(35) C(40) 119.2(7) no
C(36) C(37) C(38) 121.2(8) no
C(38) C(39) C(40) 120.3(8) no
P(2) C(41) C(42) 119.2(6) no
C(42) C(41) C(46) 118.2(7) no
C(42) C(43) C(44) 119.6(8) no
C(44) C(45) C(46) 120.1(8) no
P(2) C(47) C(48) 123.2(7) no
C(48) C(47) C(52) 117.1(8) no
C(48) C(49) C(50) 120.0(10) no
C(50) C(51) C(52) 119.0(10) no
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
Re(1) N(1ab) 1.810(10) yes
Re(1) C(4b) 1.64(3) yes
Re(1) C(7) 2.306(9) yes
Re(1) C(9) 2.290(10) yes
Re(1) C(11) 2.328(9) yes
Re(2) P(2) 2.423(2) yes
Re(2) O(2) 2.215(5) yes
Re(2) C(6) 1.868(8) yes
P(1) C(23) 1.832(8) yes
P(2) C(35) 1.834(7) yes
P(2) C(47) 1.835(8) yes
O(2) C(1) 1.285(8) yes
O(3a) N(1ab) 1.270(10) yes
O(4a) O(4b) 0.72(3) yes
O(4a) C(4a) 1.16(2) yes
O(4b) C(4a) 1.14(3) yes
O(6) C(6) 1.168(9) yes
C(7) C(8) 1.410(10) no
C(7) C(12) 1.490(10) no
C(8) C(13) 1.500(10) no
C(9) C(14) 1.510(10) no
C(10) C(15) 1.510(10) no
C(17) C(18) 1.380(10) no
C(18) C(19) 1.390(10) no
Re(1) C(1) 2.105(8) yes
Re(1) C(4a) 1.870(10) yes
Re(1) C(8) 2.309(9) yes
Re(1) C(10) 2.290(9) yes
Re(2) P(1) 2.423(2) yes
Re(2) O(1) 2.180(5) yes
Re(2) C(5) 1.859(8) yes
P(1) C(17) 1.829(8) yes
P(1) C(29) 1.847(8) yes
P(2) C(41) 1.831(8) yes
O(1) C(1) 1.302(8) yes
O(3a) O(3b) 0.93(3) yes
O(3b) N(1ab) 1.23(3) yes
O(4a) C(4b) 1.57(3) yes
O(4b) C(4b) 1.25(3) yes
O(5) C(5) 1.177(9) yes
C(4b) C(4a) 0.61(3) no
C(7) C(11) 1.430(10) no
C(8) C(9) 1.400(10) no
C(9) C(10) 1.420(10) no
C(10) C(11) 1.420(10) no
C(11) C(16) 1.470(10) no
C(17) C(22) 1.390(10) no
C(19) C(20) 1.370(10) no
C(20) C(21) 1.370(10) no
C(23) C(24) 1.390(10) no
C(24) C(25) 1.380(10) no
C(26) C(27) 1.370(10) no
C(29) C(30) 1.380(10) no
C(30) C(31) 1.380(10) no
C(32) C(33) 1.370(10) no
C(35) C(36) 1.390(10) no
C(36) C(37) 1.390(10) no
C(38) C(39) 1.380(10) no
C(41) C(42) 1.400(10) no
C(42) C(43) 1.390(10) no
C(44) C(45) 1.360(10) no
C(47) C(48) 1.370(10) no
C(48) C(49) 1.410(10) no
C(50) C(51) 1.380(10) no
C(21) C(22) 1.380(10) no
C(23) C(28) 1.380(10) no
C(25) C(26) 1.360(10) no
C(27) C(28) 1.370(10) no
C(29) C(34) 1.380(10) no
C(31) C(32) 1.380(10) no
C(33) C(34) 1.390(10) no
C(35) C(40) 1.380(10) no
C(37) C(38) 1.370(10) no
C(39) C(40) 1.380(10) no
C(41) C(46) 1.400(10) no
C(43) C(44) 1.380(10) no
C(45) C(46) 1.370(10) no
C(47) C(52) 1.360(10) no
C(49) C(50) 1.350(10) no
C(51) C(52) 1.400(10) no
