#------------------------------------------------------------------------------
#$Date: 2017-02-20 02:01:54 +0200 (Mon, 20 Feb 2017) $
#$Revision: 192331 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/10/42/2104206.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_2104206
loop_
_publ_author_name
'Sparkes, Hazel A.'
'Brayshaw, Simon K.'
'Weller, Andrew S.'
'Howard, Judith A. K.'
_publ_section_title
;
 [Rh(C₇H₈)(PPh₃)Cl]: an experimental charge-density study
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              550
_journal_page_last               557
_journal_paper_doi               10.1107/S0108768108026384
_journal_volume                  64
_journal_year                    2008
_chemical_formula_moiety         'C25 H23 Cl P Rh'
_chemical_formula_sum            'C25 H23 Cl P Rh'
_chemical_formula_weight         492.76
_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_type_scat_source
'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_cell_angle_alpha                99.2130(10)
_cell_angle_beta                 103.1310(10)
_cell_angle_gamma                115.0800(10)
_cell_formula_units_Z            2
_cell_length_a                   10.24300(10)
_cell_length_b                   10.40420(10)
_cell_length_c                   11.40780(10)
_cell_measurement_temperature    100(2)
_cell_volume                     1026.01(2)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_collection       'Collect (Nonius BV, 1997-2000)'
_computing_data_reduction
'HKL Denzo and Scalepack (Otwinowski & Minor 1997)'
_computing_molecular_graphics    'Volkov et al, (2006)'
_computing_publication_material  'Volkov et al, (2006)'
_computing_structure_refinement  'Volkov et al, (2006)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Nonius Kappa CCD'
_diffrn_measurement_method       CCD
_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  0.0376
_diffrn_reflns_av_sigmaI/netI    0.0158
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            370693
_diffrn_reflns_theta_full        50.15
_diffrn_reflns_theta_max         50.15
_diffrn_reflns_theta_min         2.26
_exptl_absorpt_coefficient_mu    1.049
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.595
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             500
_refine_diff_density_max         0.204
_refine_diff_density_min         -0.213
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.352
_refine_ls_hydrogen_treatment    refU
_refine_ls_matrix_type           full
_refine_ls_number_parameters     514
_refine_ls_number_reflns         19920
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.015
_refine_ls_R_factor_gt           0.012
_refine_ls_shift/su_max          0
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details
;
calc w1 = 1/[s²(Fo)]
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.012
_reflns_number_gt                19920
_reflns_number_total             21647
_reflns_threshold_expression     'I >3 σ(I)'
_cod_data_source_file            bs5064.cif
_cod_data_source_block           1
_cod_depositor_comments
;
 Marking atom 'DUM0' as a dummy atom.

 Antanas Vaitkus,
 2017-02-20

 Adding _atom_site_type_symbol label and values.

 Antanas Vaitkus
 2013-04-09
;
_cod_original_cell_volume        1026.010(17)
_cod_database_code               2104206
_cod_database_fobs_code          2104206
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_occupancy
_atom_site_calc_flag
RH(1) Rh 0.787155(2) 0.772452(2) 0.7231880(16) 0.009 1 ?
CL(1) Cl 0.703751(7) 0.524121(7) 0.726514(6) 0.014 1 ?
P(1) P 1.038951(7) 0.833909(7) 0.753578(5) 0.009 1 ?
C(1) C 0.57359(3) 0.76988(4) 0.73741(3) 0.014 1 ?
C(2) C 0.55919(4) 0.73356(4) 0.61128(3) 0.015 1 ?
C(3) C 0.62251(4) 0.88065(4) 0.57771(3) 0.016 1 ?
C(4) C 0.79460(4) 0.94849(4) 0.65042(3) 0.015 1 ?
C(5) C 0.80950(4) 0.98571(3) 0.77949(3) 0.014 1 ?
C(6) C 0.64693(4) 0.93992(4) 0.78397(3) 0.015 1 ?
C(7) C 0.57716(4) 0.97283(4) 0.66465(3) 0.017 1 ?
C(8) C 1.16740(3) 1.03313(3) 0.79144(2) 0.011 1 ?
C(9) C 1.18870(3) 1.12563(3) 0.90621(2) 0.013 1 ?
C(10) C 1.28192(3) 1.27875(3) 0.93910(2) 0.015 1 ?
C(11) C 1.35652(3) 1.34086(3) 0.85797(3) 0.017 1 ?
C(12) C 1.33788(3) 1.24985(3) 0.74471(3) 0.016 1 ?
C(13) C 1.24307(3) 1.09672(3) 0.71121(2) 0.013 1 ?
C(14) C 1.05684(3) 0.75315(3) 0.60731(2) 0.011 1 ?
C(15) C 0.96550(3) 0.75167(3) 0.49451(2) 0.016 1 ?
C(16) C 0.97714(4) 0.69701(4) 0.37963(2) 0.019 1 ?
C(17) C 1.07786(4) 0.64058(3) 0.37567(3) 0.017 1 ?
C(18) C 1.16620(3) 0.63821(3) 0.48670(2) 0.016 1 ?
C(19) C 1.15592(3) 0.69400(3) 0.60186(2) 0.014 1 ?
C(20) C 1.14490(3) 0.78763(3) 0.87592(2) 0.011 1 ?
C(21) C 1.30128(3) 0.83458(3) 0.89884(2) 0.013 1 ?
C(22) C 1.38014(3) 0.79347(3) 0.98835(2) 0.016 1 ?
C(23) C 1.30540(4) 0.70980(3) 1.05982(3) 0.018 1 ?
C(24) C 1.15240(3) 0.66861(3) 1.04128(3) 0.018 1 ?
C(25) C 1.07137(3) 0.70535(3) 0.94857(2) 0.014 1 ?
H(1) H 0.538368 0.691836 0.792889 0.037 1 ?
H(2) H 0.493344 0.623047 0.542096 0.025 1 ?
H(3) H 0.589356 0.869806 0.476452 0.026 1 ?
H(4) H 0.887016 0.999483 0.611813 0.02 1 ?
H(5) H 0.911195 1.070806 0.857875 0.024 1 ?
H(6) H 0.642067 0.991658 0.873724 0.027 1 ?
H(7B) H 0.631184 1.090811 0.668612 0.025 1 ?
H(7A) H 0.452523 0.926975 0.637468 0.024 1 ?
H(9) H 1.131536 1.074026 0.967816 0.02 1 ?
H(10) H 1.296051 1.349127 1.026725 0.023 1 ?
H(11) H 1.427987 1.459179 0.880588 0.034 1 ?
H(12) H 1.400042 1.297166 0.684227 0.027 1 ?
H(13) H 1.227628 1.02814 0.622107 0.021 1 ?
H(15) H 0.881561 0.788878 0.492818 0.029 1 ?
H(16) H 0.903517 0.691546 0.292418 0.026 1 ?
H(17) H 1.083195 0.597283 0.285309 0.029 1 ?
H(18) H 1.245579 0.596059 0.483222 0.026 1 ?
H(19) H 1.225312 0.694502 0.688933 0.033 1 ?
H(21) H 1.359091 0.902062 0.845263 0.026 1 ?
H(22) H 1.499848 0.829394 1.003835 0.019 1 ?
H(23) H 1.367037 0.679622 1.130575 0.033 1 ?
H(24) H 1.093755 0.603139 1.095603 0.032 1 ?
H(25) H 0.950536 0.665982 0.929523 0.022 1 ?
DUM0 . 0 0 0 0 0 dum
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
CL(1) RH(1) P(1) 1_555 1_555 1_555 96.346(2) yes
CL(1) RH(1) C(1) 1_555 1_555 1_555 93.758(8) yes
CL(1) RH(1) C(2) 1_555 1_555 1_555 95.090(9) yes
CL(1) RH(1) C(4) 1_555 1_555 1_555 157.369(9) yes
CL(1) RH(1) C(5) 1_555 1_555 1_555 154.088(9) yes
P(1) RH(1) C(1) 1_555 1_555 1_555 164.189(9) yes
P(1) RH(1) C(2) 1_555 1_555 1_555 153.217(9) yes
P(1) RH(1) C(4) 1_555 1_555 1_555 95.663(9) yes
P(1) RH(1) C(5) 1_555 1_555 1_555 99.964(8) yes
C(1) RH(1) C(2) 1_555 1_555 1_555 36.352(11) yes
C(1) RH(1) C(4) 1_555 1_555 1_555 79.135(12) yes
C(1) RH(1) C(5) 1_555 1_555 1_555 66.548(12) yes
C(2) RH(1) C(4) 1_555 1_555 1_555 66.464(13) yes
C(2) RH(1) C(5) 1_555 1_555 1_555 79.078(12) yes
C(4) RH(1) C(5) 1_555 1_555 1_555 39.276(12) yes
RH(1) P(1) C(8) 1_555 1_555 1_555 114.197(8) yes
RH(1) P(1) C(14) 1_555 1_555 1_555 109.506(8) yes
RH(1) P(1) C(20) 1_555 1_555 1_555 121.381(8) yes
C(8) P(1) C(14) 1_555 1_555 1_555 104.183(11) yes
C(8) P(1) C(20) 1_555 1_555 1_555 100.444(11) yes
C(14) P(1) C(20) 1_555 1_555 1_555 105.455(11) yes
RH(1) C(1) C(2) 1_555 1_555 1_555 71.819(17) yes
RH(1) C(1) C(3) 1_555 1_555 1_555 75.419(12) yes
RH(1) C(1) C(5) 1_555 1_555 1_555 54.435(10) yes
RH(1) C(1) C(6) 1_555 1_555 1_555 93.981(18) yes
RH(1) C(1) C(7) 1_555 1_555 1_555 103.305(14) yes
RH(1) C(1) H(1) 1_555 1_555 1_555 102.015(19) yes
RH(1) C(1) H(2) 1_555 1_555 1_555 78.416(10) yes
RH(1) C(1) H(6) 1_555 1_555 1_555 107.179(13) yes
C(2) C(1) C(3) 1_555 1_555 1_555 39.009(18) yes
C(2) C(1) C(5) 1_555 1_555 1_555 90.27(2) yes
C(2) C(1) C(6) 1_555 1_555 1_555 106.63(3) yes
C(2) C(1) C(7) 1_555 1_555 1_555 73.25(2) yes
C(2) C(1) H(1) 1_555 1_555 1_555 126.44(3) yes
C(2) C(1) H(2) 1_555 1_555 1_555 22.957(15) yes
C(2) C(1) H(6) 1_555 1_555 1_555 130.39(2) yes
C(3) C(1) C(5) 1_555 1_555 1_555 60.057(14) yes
C(3) C(1) C(6) 1_555 1_555 1_555 67.620(18) yes
C(3) C(1) C(7) 1_555 1_555 1_555 38.299(12) yes
C(3) C(1) H(1) 1_555 1_555 1_555 165.44(3) yes
C(3) C(1) H(2) 1_555 1_555 1_555 61.581(12) yes
C(3) C(1) H(6) 1_555 1_555 1_555 91.665(14) yes
C(5) C(1) C(6) 1_555 1_555 1_555 39.603(15) yes
C(5) C(1) C(7) 1_555 1_555 1_555 60.033(13) yes
C(5) C(1) H(1) 1_555 1_555 1_555 130.30(2) yes
C(5) C(1) H(2) 1_555 1_555 1_555 111.083(14) yes
C(5) C(1) H(6) 1_555 1_555 1_555 57.368(10) yes
C(6) C(1) C(7) 1_555 1_555 1_555 39.722(16) yes
C(6) C(1) H(1) 1_555 1_555 1_555 126.93(3) yes
C(6) C(1) H(2) 1_555 1_555 1_555 128.96(2) yes
C(6) C(1) H(6) 1_555 1_555 1_555 24.912(12) yes
C(7) C(1) H(1) 1_555 1_555 1_555 152.11(2) yes
C(7) C(1) H(2) 1_555 1_555 1_555 92.517(14) yes
C(7) C(1) H(6) 1_555 1_555 1_555 58.441(11) yes
H(1) C(1) H(2) 1_555 1_555 1_555 103.87(2) yes
H(1) C(1) H(6) 1_555 1_555 1_555 102.72(2) yes
H(2) C(1) H(6) 1_555 1_555 1_555 150.947(16) yes
RH(1) C(2) C(1) 1_555 1_555 1_555 71.829(18) yes
RH(1) C(2) C(3) 1_555 1_555 1_555 94.267(19) yes
RH(1) C(2) C(4) 1_555 1_555 1_555 54.536(10) yes
RH(1) C(2) C(6) 1_555 1_555 1_555 75.191(12) yes
RH(1) C(2) C(7) 1_555 1_555 1_555 103.183(15) yes
RH(1) C(2) H(1) 1_555 1_555 1_555 74.054(10) yes
RH(1) C(2) H(2) 1_555 1_555 1_555 111.47(2) yes
RH(1) C(2) H(3) 1_555 1_555 1_555 108.641(14) yes
C(1) C(2) C(3) 1_555 1_555 1_555 106.50(3) yes
C(1) C(2) C(4) 1_555 1_555 1_555 90.49(2) yes
C(1) C(2) C(6) 1_555 1_555 1_555 38.935(18) yes
C(1) C(2) C(7) 1_555 1_555 1_555 72.94(2) yes
C(1) C(2) H(1) 1_555 1_555 1_555 23.472(15) yes
C(1) C(2) H(2) 1_555 1_555 1_555 127.64(3) yes
C(1) C(2) H(3) 1_555 1_555 1_555 131.47(2) yes
C(3) C(2) C(4) 1_555 1_555 1_555 39.767(16) yes
C(3) C(2) C(6) 1_555 1_555 1_555 67.566(18) yes
C(3) C(2) C(7) 1_555 1_555 1_555 39.682(16) yes
C(3) C(2) H(1) 1_555 1_555 1_555 129.97(2) yes
C(3) C(2) H(2) 1_555 1_555 1_555 124.57(3) yes
C(3) C(2) H(3) 1_555 1_555 1_555 26.421(13) yes
C(4) C(2) C(6) 1_555 1_555 1_555 60.143(13) yes
C(4) C(2) C(7) 1_555 1_555 1_555 60.145(14) yes
C(4) C(2) H(1) 1_555 1_555 1_555 109.244(15) yes
C(4) C(2) H(2) 1_555 1_555 1_555 135.74(2) yes
C(4) C(2) H(3) 1_555 1_555 1_555 58.878(11) yes
C(6) C(2) C(7) 1_555 1_555 1_555 38.203(12) yes
C(6) C(2) H(1) 1_555 1_555 1_555 62.406(11) yes
C(6) C(2) H(2) 1_555 1_555 1_555 164.02(3) yes
C(6) C(2) H(3) 1_555 1_555 1_555 92.977(14) yes
C(7) C(2) H(1) 1_555 1_555 1_555 94.771(14) yes
C(7) C(2) H(2) 1_555 1_555 1_555 143.71(2) yes
C(7) C(2) H(3) 1_555 1_555 1_555 59.482(12) yes
H(1) C(2) H(2) 1_555 1_555 1_555 104.56(2) yes
H(1) C(2) H(3) 1_555 1_555 1_555 154.227(16) yes
H(2) C(2) H(3) 1_555 1_555 1_555 98.23(2) yes
C(1) C(3) C(2) 1_555 1_555 1_555 34.491(15) yes
C(1) C(3) C(4) 1_555 1_555 1_555 87.826(19) yes
C(1) C(3) C(5) 1_555 1_555 1_555 60.613(13) yes
C(1) C(3) C(6) 1_555 1_555 1_555 38.975(12) yes
C(1) C(3) C(7) 1_555 1_555 1_555 72.054(19) yes
C(1) C(3) H(2) 1_555 1_555 1_555 56.877(11) yes
C(1) C(3) H(3) 1_555 1_555 1_555 147.10(3) yes
C(1) C(3) H(4) 1_555 1_555 1_555 109.614(14) yes
C(1) C(3) H(7B) 1_555 1_555 1_555 95.873(14) yes
C(1) C(3) H(7A) 1_555 1_555 1_555 72.061(12) yes
C(2) C(3) C(4) 1_555 1_555 1_555 100.65(2) yes
C(2) C(3) C(5) 1_555 1_555 1_555 87.178(19) yes
C(2) C(3) C(6) 1_555 1_555 1_555 73.465(19) yes
C(2) C(3) C(7) 1_555 1_555 1_555 100.96(3) yes
C(2) C(3) H(2) 1_555 1_555 1_555 22.719(13) yes
C(2) C(3) H(3) 1_555 1_555 1_555 115.08(3) yes
C(2) C(3) H(4) 1_555 1_555 1_555 115.52(2) yes
C(2) C(3) H(7B) 1_555 1_555 1_555 127.55(2) yes
C(2) C(3) H(7A) 1_555 1_555 1_555 89.239(19) yes
C(4) C(3) C(5) 1_555 1_555 1_555 35.264(15) yes
C(4) C(3) C(6) 1_555 1_555 1_555 74.140(18) yes
C(4) C(3) C(7) 1_555 1_555 1_555 100.74(3) yes
C(4) C(3) H(2) 1_555 1_555 1_555 111.85(2) yes
C(4) C(3) H(3) 1_555 1_555 1_555 117.26(3) yes
C(4) C(3) H(4) 1_555 1_555 1_555 22.484(13) yes
C(4) C(3) H(7B) 1_555 1_555 1_555 89.00(2) yes
C(4) C(3) H(7A) 1_555 1_555 1_555 127.76(2) yes
C(5) C(3) C(6) 1_555 1_555 1_555 38.877(12) yes
C(5) C(3) C(7) 1_555 1_555 1_555 71.484(19) yes
C(5) C(3) H(2) 1_555 1_555 1_555 107.684(14) yes
C(5) C(3) H(3) 1_555 1_555 1_555 150.44(3) yes
C(5) C(3) H(4) 1_555 1_555 1_555 56.537(11) yes
C(5) C(3) H(7B) 1_555 1_555 1_555 71.713(12) yes
C(5) C(3) H(7A) 1_555 1_555 1_555 95.576(14) yes
C(6) C(3) C(7) 1_555 1_555 1_555 43.059(16) yes
C(6) C(3) H(2) 1_555 1_555 1_555 95.728(15) yes
C(6) C(3) H(3) 1_555 1_555 1_555 162.13(3) yes
C(6) C(3) H(4) 1_555 1_555 1_555 94.937(15) yes
C(6) C(3) H(7B) 1_555 1_555 1_555 59.852(11) yes
C(6) C(3) H(7A) 1_555 1_555 1_555 59.789(11) yes
C(7) C(3) H(2) 1_555 1_555 1_555 116.22(2) yes
C(7) C(3) H(3) 1_555 1_555 1_555 119.15(3) yes
C(7) C(3) H(4) 1_555 1_555 1_555 112.05(2) yes
C(7) C(3) H(7B) 1_555 1_555 1_555 27.175(15) yes
C(7) C(3) H(7A) 1_555 1_555 1_555 27.569(15) yes
H(2) C(3) H(3) 1_555 1_555 1_555 92.43(2) yes
H(2) C(3) H(4) 1_555 1_555 1_555 118.912(13) yes
H(2) C(3) H(7B) 1_555 1_555 1_555 143.104(16) yes
H(2) C(3) H(7A) 1_555 1_555 1_555 96.708(13) yes
H(3) C(3) H(4) 1_555 1_555 1_555 94.98(2) yes
H(3) C(3) H(7B) 1_555 1_555 1_555 104.93(2) yes
H(3) C(3) H(7A) 1_555 1_555 1_555 103.51(2) yes
H(4) C(3) H(7B) 1_555 1_555 1_555 92.168(13) yes
H(4) C(3) H(7A) 1_555 1_555 1_555 139.059(17) yes
H(7B) C(3) H(7A) 1_555 1_555 1_555 48.019(7) yes
RH(1) C(4) C(2) 1_555 1_555 1_555 59.000(11) yes
RH(1) C(4) C(3) 1_555 1_555 1_555 98.54(2) yes
RH(1) C(4) C(5) 1_555 1_555 1_555 70.250(17) yes
RH(1) C(4) C(6) 1_555 1_555 1_555 76.828(12) yes
RH(1) C(4) C(7) 1_555 1_555 1_555 106.690(15) yes
RH(1) C(4) H(3) 1_555 1_555 1_555 111.537(14) yes
RH(1) C(4) H(4) 1_555 1_555 1_555 116.73(2) yes
RH(1) C(4) H(5) 1_555 1_555 1_555 79.709(10) yes
C(2) C(4) C(3) 1_555 1_555 1_555 39.583(16) yes
C(2) C(4) C(5) 1_555 1_555 1_555 89.56(2) yes
C(2) C(4) C(6) 1_555 1_555 1_555 59.348(13) yes
C(2) C(4) C(7) 1_555 1_555 1_555 60.116(14) yes
C(2) C(4) H(3) 1_555 1_555 1_555 57.602(11) yes
C(2) C(4) H(4) 1_555 1_555 1_555 143.46(3) yes
C(2) C(4) H(5) 1_555 1_555 1_555 111.812(14) yes
C(3) C(4) C(5) 1_555 1_555 1_555 105.71(2) yes
C(3) C(4) C(6) 1_555 1_555 1_555 66.928(18) yes
C(3) C(4) C(7) 1_555 1_555 1_555 39.704(16) yes
C(3) C(4) H(3) 1_555 1_555 1_555 25.514(13) yes
C(3) C(4) H(4) 1_555 1_555 1_555 125.03(3) yes
C(3) C(4) H(5) 1_555 1_555 1_555 125.93(2) yes
C(5) C(4) C(6) 1_555 1_555 1_555 38.778(16) yes
C(5) C(4) C(7) 1_555 1_555 1_555 72.486(19) yes
C(5) C(4) H(3) 1_555 1_555 1_555 130.16(2) yes
C(5) C(4) H(4) 1_555 1_555 1_555 124.72(3) yes
C(5) C(4) H(5) 1_555 1_555 1_555 22.738(14) yes
C(6) C(4) C(7) 1_555 1_555 1_555 38.045(12) yes
C(6) C(4) H(3) 1_555 1_555 1_555 91.685(14) yes
C(6) C(4) H(4) 1_555 1_555 1_555 156.68(3) yes
C(6) C(4) H(5) 1_555 1_555 1_555 60.038(11) yes
C(7) C(4) H(3) 1_555 1_555 1_555 59.071(11) yes
C(7) C(4) H(4) 1_555 1_555 1_555 136.44(2) yes
C(7) C(4) H(5) 1_555 1_555 1_555 88.468(14) yes
H(3) C(4) H(4) 1_555 1_555 1_555 99.723(19) yes
H(3) C(4) H(5) 1_555 1_555 1_555 147.286(14) yes
H(4) C(4) H(5) 1_555 1_555 1_555 101.99(2) yes
RH(1) C(5) C(1) 1_555 1_555 1_555 59.018(11) yes
RH(1) C(5) C(3) 1_555 1_555 1_555 77.160(13) yes
RH(1) C(5) C(4) 1_555 1_555 1_555 70.473(17) yes
RH(1) C(5) C(6) 1_555 1_555 1_555 98.468(19) yes
RH(1) C(5) C(7) 1_555 1_555 1_555 106.980(15) yes
RH(1) C(5) H(4) 1_555 1_555 1_555 79.701(10) yes
RH(1) C(5) H(5) 1_555 1_555 1_555 118.47(2) yes
RH(1) C(5) H(6) 1_555 1_555 1_555 113.093(14) yes
C(1) C(5) C(3) 1_555 1_555 1_555 59.330(14) yes
C(1) C(5) C(4) 1_555 1_555 1_555 89.67(2) yes
C(1) C(5) C(6) 1_555 1_555 1_555 39.511(15) yes
C(1) C(5) C(7) 1_555 1_555 1_555 60.065(14) yes
C(1) C(5) H(4) 1_555 1_555 1_555 112.846(15) yes
C(1) C(5) H(5) 1_555 1_555 1_555 141.42(2) yes
C(1) C(5) H(6) 1_555 1_555 1_555 59.281(11) yes
C(3) C(5) C(4) 1_555 1_555 1_555 39.030(17) yes
C(3) C(5) C(6) 1_555 1_555 1_555 67.062(18) yes
C(3) C(5) C(7) 1_555 1_555 1_555 38.166(12) yes
C(3) C(5) H(4) 1_555 1_555 1_555 61.587(11) yes
C(3) C(5) H(5) 1_555 1_555 1_555 157.68(2) yes
C(3) C(5) H(6) 1_555 1_555 1_555 92.384(13) yes
C(4) C(5) C(6) 1_555 1_555 1_555 106.09(3) yes
C(4) C(5) C(7) 1_555 1_555 1_555 72.902(19) yes
C(4) C(5) H(4) 1_555 1_555 1_555 23.873(15) yes
C(4) C(5) H(5) 1_555 1_555 1_555 127.41(3) yes
C(4) C(5) H(6) 1_555 1_555 1_555 130.96(2) yes
C(6) C(5) C(7) 1_555 1_555 1_555 39.766(16) yes
C(6) C(5) H(4) 1_555 1_555 1_555 127.71(2) yes
C(6) C(5) H(5) 1_555 1_555 1_555 121.59(3) yes
C(6) C(5) H(6) 1_555 1_555 1_555 26.511(13) yes
C(7) C(5) H(4) 1_555 1_555 1_555 90.239(14) yes
C(7) C(5) H(5) 1_555 1_555 1_555 134.04(2) yes
C(7) C(5) H(6) 1_555 1_555 1_555 59.049(11) yes
H(4) C(5) H(5) 1_555 1_555 1_555 103.55(2) yes
H(4) C(5) H(6) 1_555 1_555 1_555 148.682(15) yes
H(5) C(5) H(6) 1_555 1_555 1_555 95.157(18) yes
C(1) C(6) C(2) 1_555 1_555 1_555 34.437(15) yes
C(1) C(6) C(3) 1_555 1_555 1_555 73.405(19) yes
C(1) C(6) C(4) 1_555 1_555 1_555 87.221(18) yes
C(1) C(6) C(5) 1_555 1_555 1_555 100.89(2) yes
C(1) C(6) C(7) 1_555 1_555 1_555 100.84(3) yes
C(1) C(6) H(1) 1_555 1_555 1_555 21.790(13) yes
C(1) C(6) H(5) 1_555 1_555 1_555 116.714(19) yes
C(1) C(6) H(6) 1_555 1_555 1_555 118.99(3) yes
C(1) C(6) H(7B) 1_555 1_555 1_555 126.80(2) yes
C(1) C(6) H(7A) 1_555 1_555 1_555 88.741(19) yes
C(2) C(6) C(3) 1_555 1_555 1_555 38.968(13) yes
C(2) C(6) C(4) 1_555 1_555 1_555 60.509(13) yes
C(2) C(6) C(5) 1_555 1_555 1_555 87.689(18) yes
C(2) C(6) C(7) 1_555 1_555 1_555 72.183(19) yes
C(2) C(6) H(1) 1_555 1_555 1_555 56.227(11) yes
C(2) C(6) H(5) 1_555 1_555 1_555 110.832(14) yes
C(2) C(6) H(6) 1_555 1_555 1_555 151.13(3) yes
C(2) C(6) H(7B) 1_555 1_555 1_555 95.249(14) yes
C(2) C(6) H(7A) 1_555 1_555 1_555 71.507(12) yes
C(3) C(6) C(4) 1_555 1_555 1_555 38.931(12) yes
C(3) C(6) C(5) 1_555 1_555 1_555 74.061(18) yes
C(3) C(6) C(7) 1_555 1_555 1_555 43.125(16) yes
C(3) C(6) H(1) 1_555 1_555 1_555 95.194(15) yes
C(3) C(6) H(5) 1_555 1_555 1_555 96.108(14) yes
C(3) C(6) H(6) 1_555 1_555 1_555 160.76(2) yes
C(3) C(6) H(7B) 1_555 1_555 1_555 59.158(12) yes
C(3) C(6) H(7A) 1_555 1_555 1_555 58.897(11) yes
C(4) C(6) C(5) 1_555 1_555 1_555 35.130(15) yes
C(4) C(6) C(7) 1_555 1_555 1_555 71.620(18) yes
C(4) C(6) H(1) 1_555 1_555 1_555 104.696(13) yes
C(4) C(6) H(5) 1_555 1_555 1_555 57.739(11) yes
C(4) C(6) H(6) 1_555 1_555 1_555 147.04(3) yes
C(4) C(6) H(7B) 1_555 1_555 1_555 71.268(12) yes
C(4) C(6) H(7A) 1_555 1_555 1_555 94.791(14) yes
C(5) C(6) C(7) 1_555 1_555 1_555 100.66(2) yes
C(5) C(6) H(1) 1_555 1_555 1_555 107.870(18) yes
C(5) C(6) H(5) 1_555 1_555 1_555 23.867(13) yes
C(5) C(6) H(6) 1_555 1_555 1_555 114.76(3) yes
C(5) C(6) H(7B) 1_555 1_555 1_555 88.662(18) yes
C(5) C(6) H(7A) 1_555 1_555 1_555 126.89(2) yes
C(7) C(6) H(1) 1_555 1_555 1_555 118.40(2) yes
C(7) C(6) H(5) 1_555 1_555 1_555 112.50(2) yes
C(7) C(6) H(6) 1_555 1_555 1_555 117.70(3) yes
C(7) C(6) H(7B) 1_555 1_555 1_555 26.651(15) yes
C(7) C(6) H(7A) 1_555 1_555 1_555 26.912(14) yes
H(1) C(6) H(5) 1_555 1_555 1_555 115.470(13) yes
H(1) C(6) H(6) 1_555 1_555 1_555 97.865(19) yes
H(1) C(6) H(7B) 1_555 1_555 1_555 145.027(15) yes
H(1) C(6) H(7A) 1_555 1_555 1_555 99.983(13) yes
H(5) C(6) H(6) 1_555 1_555 1_555 90.975(19) yes
H(5) C(6) H(7B) 1_555 1_555 1_555 92.225(12) yes
H(5) C(6) H(7A) 1_555 1_555 1_555 138.873(15) yes
H(6) C(6) H(7B) 1_555 1_555 1_555 102.814(19) yes
H(6) C(6) H(7A) 1_555 1_555 1_555 104.716(19) yes
H(7B) C(6) H(7A) 1_555 1_555 1_555 47.604(6) yes
C(1) C(7) C(2) 1_555 1_555 1_555 33.809(11) yes
C(1) C(7) C(3) 1_555 1_555 1_555 69.647(18) yes
C(1) C(7) C(4) 1_555 1_555 1_555 70.789(13) yes
C(1) C(7) C(5) 1_555 1_555 1_555 59.902(13) yes
C(1) C(7) C(6) 1_555 1_555 1_555 39.440(16) yes
C(1) C(7) H(3) 1_555 1_555 1_555 90.554(14) yes
C(1) C(7) H(6) 1_555 1_555 1_555 58.704(11) yes
C(1) C(7) H(7B) 1_555 1_555 1_555 152.08(3) yes
C(1) C(7) H(7A) 1_555 1_555 1_555 93.43(2) yes
C(2) C(7) C(3) 1_555 1_555 1_555 39.355(17) yes
C(2) C(7) C(4) 1_555 1_555 1_555 59.740(13) yes
C(2) C(7) C(5) 1_555 1_555 1_555 70.710(13) yes
C(2) C(7) C(6) 1_555 1_555 1_555 69.614(18) yes
C(2) C(7) H(3) 1_555 1_555 1_555 57.147(11) yes
C(2) C(7) H(6) 1_555 1_555 1_555 91.940(14) yes
C(2) C(7) H(7B) 1_555 1_555 1_555 150.87(3) yes
C(2) C(7) H(7A) 1_555 1_555 1_555 92.90(2) yes
C(3) C(7) C(4) 1_555 1_555 1_555 39.559(17) yes
C(3) C(7) C(5) 1_555 1_555 1_555 70.349(18) yes
C(3) C(7) C(6) 1_555 1_555 1_555 93.82(2) yes
C(3) C(7) H(3) 1_555 1_555 1_555 24.733(13) yes
C(3) C(7) H(6) 1_555 1_555 1_555 119.11(2) yes
C(3) C(7) H(7B) 1_555 1_555 1_555 112.78(3) yes
C(3) C(7) H(7A) 1_555 1_555 1_555 111.74(3) yes
C(4) C(7) C(5) 1_555 1_555 1_555 34.612(11) yes
C(4) C(7) C(6) 1_555 1_555 1_555 70.335(17) yes
C(4) C(7) H(3) 1_555 1_555 1_555 58.006(11) yes
C(4) C(7) H(6) 1_555 1_555 1_555 91.582(14) yes
C(4) C(7) H(7B) 1_555 1_555 1_555 93.36(2) yes
C(4) C(7) H(7A) 1_555 1_555 1_555 150.16(3) yes
C(5) C(7) C(6) 1_555 1_555 1_555 39.576(16) yes
C(5) C(7) H(3) 1_555 1_555 1_555 91.996(13) yes
C(5) C(7) H(6) 1_555 1_555 1_555 57.403(11) yes
C(5) C(7) H(7B) 1_555 1_555 1_555 93.87(2) yes
C(5) C(7) H(7A) 1_555 1_555 1_555 151.57(3) yes
C(6) C(7) H(3) 1_555 1_555 1_555 118.53(2) yes
C(6) C(7) H(6) 1_555 1_555 1_555 25.313(12) yes
C(6) C(7) H(7B) 1_555 1_555 1_555 114.22(3) yes
C(6) C(7) H(7A) 1_555 1_555 1_555 113.53(3) yes
H(3) C(7) H(6) 1_555 1_555 1_555 143.836(15) yes
H(3) C(7) H(7B) 1_555 1_555 1_555 100.47(2) yes
H(3) C(7) H(7A) 1_555 1_555 1_555 98.38(2) yes
H(6) C(7) H(7B) 1_555 1_555 1_555 100.40(2) yes
H(6) C(7) H(7A) 1_555 1_555 1_555 101.76(2) yes
H(7B) C(7) H(7A) 1_555 1_555 1_555 109.98(3) yes
P(1) C(8) C(9) 1_555 1_555 1_555 117.895(18) yes
P(1) C(8) C(13) 1_555 1_555 1_555 123.135(18) yes
P(1) C(8) H(9) 1_555 1_555 1_555 91.327(10) yes
P(1) C(8) H(13) 1_555 1_555 1_555 97.534(10) yes
C(9) C(8) C(13) 1_555 1_555 1_555 118.97(2) yes
C(9) C(8) H(9) 1_555 1_555 1_555 26.584(11) yes
C(9) C(8) H(13) 1_555 1_555 1_555 144.565(18) yes
C(13) C(8) H(9) 1_555 1_555 1_555 145.537(19) yes
C(13) C(8) H(13) 1_555 1_555 1_555 25.600(11) yes
H(9) C(8) H(13) 1_555 1_555 1_555 171.133(13) yes
C(8) C(9) C(10) 1_555 1_555 1_555 120.70(2) yes
C(8) C(9) H(9) 1_555 1_555 1_555 117.78(2) yes
C(8) C(9) H(10) 1_555 1_555 1_555 146.415(19) yes
C(10) C(9) H(9) 1_555 1_555 1_555 121.51(2) yes
C(10) C(9) H(10) 1_555 1_555 1_555 25.719(12) yes
H(9) C(9) H(10) 1_555 1_555 1_555 95.800(14) yes
C(9) C(10) C(11) 1_555 1_555 1_555 119.74(2) yes
C(9) C(10) H(9) 1_555 1_555 1_555 25.167(11) yes
C(9) C(10) H(10) 1_555 1_555 1_555 120.18(2) yes
C(9) C(10) H(11) 1_555 1_555 1_555 145.011(19) yes
C(11) C(10) H(9) 1_555 1_555 1_555 144.90(2) yes
C(11) C(10) H(10) 1_555 1_555 1_555 120.07(2) yes
C(11) C(10) H(11) 1_555 1_555 1_555 25.273(13) yes
H(9) C(10) H(10) 1_555 1_555 1_555 95.025(17) yes
H(9) C(10) H(11) 1_555 1_555 1_555 170.171(13) yes
H(10) C(10) H(11) 1_555 1_555 1_555 94.802(16) yes
C(10) C(11) C(12) 1_555 1_555 1_555 120.01(2) yes
C(10) C(11) H(10) 1_555 1_555 1_555 25.741(12) yes
C(10) C(11) H(11) 1_555 1_555 1_555 121.20(3) yes
C(10) C(11) H(12) 1_555 1_555 1_555 145.74(2) yes
C(12) C(11) H(10) 1_555 1_555 1_555 145.75(2) yes
C(12) C(11) H(11) 1_555 1_555 1_555 118.79(3) yes
C(12) C(11) H(12) 1_555 1_555 1_555 25.796(12) yes
H(10) C(11) H(11) 1_555 1_555 1_555 95.460(18) yes
H(10) C(11) H(12) 1_555 1_555 1_555 171.410(15) yes
H(11) C(11) H(12) 1_555 1_555 1_555 93.045(18) yes
C(11) C(12) C(13) 1_555 1_555 1_555 120.18(2) yes
C(11) C(12) H(11) 1_555 1_555 1_555 26.302(13) yes
C(11) C(12) H(12) 1_555 1_555 1_555 120.01(2) yes
C(11) C(12) H(13) 1_555 1_555 1_555 146.25(2) yes
C(13) C(12) H(11) 1_555 1_555 1_555 146.47(2) yes
C(13) C(12) H(12) 1_555 1_555 1_555 119.77(2) yes
C(13) C(12) H(13) 1_555 1_555 1_555 26.084(11) yes
H(11) C(12) H(12) 1_555 1_555 1_555 93.758(16) yes
H(11) C(12) H(13) 1_555 1_555 1_555 172.420(14) yes
H(12) C(12) H(13) 1_555 1_555 1_555 93.734(17) yes
C(8) C(13) C(12) 1_555 1_555 1_555 120.39(2) yes
C(8) C(13) H(12) 1_555 1_555 1_555 146.203(19) yes
C(8) C(13) H(13) 1_555 1_555 1_555 120.36(2) yes
C(12) C(13) H(12) 1_555 1_555 1_555 25.867(12) yes
C(12) C(13) H(13) 1_555 1_555 1_555 119.25(2) yes
H(12) C(13) H(13) 1_555 1_555 1_555 93.427(14) yes
P(1) C(14) C(15) 1_555 1_555 1_555 117.357(18) yes
P(1) C(14) C(19) 1_555 1_555 1_555 123.988(18) yes
P(1) C(14) H(15) 1_555 1_555 1_555 92.410(10) yes
P(1) C(14) H(19) 1_555 1_555 1_555 97.574(10) yes
C(15) C(14) C(19) 1_555 1_555 1_555 118.65(2) yes
C(15) C(14) H(15) 1_555 1_555 1_555 25.015(11) yes
C(15) C(14) H(19) 1_555 1_555 1_555 145.068(18) yes
C(19) C(14) H(15) 1_555 1_555 1_555 143.569(18) yes
C(19) C(14) H(19) 1_555 1_555 1_555 26.415(11) yes
H(15) C(14) H(19) 1_555 1_555 1_555 169.814(12) yes
C(14) C(15) C(16) 1_555 1_555 1_555 120.58(2) yes
C(14) C(15) H(15) 1_555 1_555 1_555 121.69(2) yes
C(14) C(15) H(16) 1_555 1_555 1_555 146.080(19) yes
C(16) C(15) H(15) 1_555 1_555 1_555 117.70(2) yes
C(16) C(15) H(16) 1_555 1_555 1_555 25.544(13) yes
H(15) C(15) H(16) 1_555 1_555 1_555 92.161(15) yes
C(15) C(16) C(17) 1_555 1_555 1_555 120.17(3) yes
C(15) C(16) H(15) 1_555 1_555 1_555 26.753(12) yes
C(15) C(16) H(16) 1_555 1_555 1_555 120.62(3) yes
C(15) C(16) H(17) 1_555 1_555 1_555 146.57(2) yes
C(17) C(16) H(15) 1_555 1_555 1_555 146.86(2) yes
C(17) C(16) H(16) 1_555 1_555 1_555 119.10(2) yes
C(17) C(16) H(17) 1_555 1_555 1_555 26.408(12) yes
H(15) C(16) H(16) 1_555 1_555 1_555 93.867(18) yes
H(15) C(16) H(17) 1_555 1_555 1_555 173.023(15) yes
H(16) C(16) H(17) 1_555 1_555 1_555 92.719(16) yes
C(16) C(17) C(18) 1_555 1_555 1_555 119.69(2) yes
C(16) C(17) H(16) 1_555 1_555 1_555 26.209(13) yes
C(16) C(17) H(17) 1_555 1_555 1_555 118.62(3) yes
C(16) C(17) H(18) 1_555 1_555 1_555 145.81(2) yes
C(18) C(17) H(16) 1_555 1_555 1_555 145.80(2) yes
C(18) C(17) H(17) 1_555 1_555 1_555 121.67(3) yes
C(18) C(17) H(18) 1_555 1_555 1_555 26.122(12) yes
H(16) C(17) H(17) 1_555 1_555 1_555 92.438(18) yes
H(16) C(17) H(18) 1_555 1_555 1_555 171.848(14) yes
H(17) C(17) H(18) 1_555 1_555 1_555 95.572(18) yes
C(17) C(18) C(19) 1_555 1_555 1_555 120.32(2) yes
C(17) C(18) H(17) 1_555 1_555 1_555 25.158(12) yes
C(17) C(18) H(18) 1_555 1_555 1_555 119.36(2) yes
C(17) C(18) H(19) 1_555 1_555 1_555 145.68(2) yes
C(19) C(18) H(17) 1_555 1_555 1_555 145.47(2) yes
C(19) C(18) H(18) 1_555 1_555 1_555 120.29(3) yes
C(19) C(18) H(19) 1_555 1_555 1_555 25.368(12) yes
H(17) C(18) H(18) 1_555 1_555 1_555 94.225(15) yes
H(17) C(18) H(19) 1_555 1_555 1_555 170.833(14) yes
H(18) C(18) H(19) 1_555 1_555 1_555 94.927(17) yes
C(14) C(19) C(18) 1_555 1_555 1_555 120.56(2) yes
C(14) C(19) H(18) 1_555 1_555 1_555 146.218(19) yes
C(14) C(19) H(19) 1_555 1_555 1_555 118.38(2) yes
C(18) C(19) H(18) 1_555 1_555 1_555 25.684(13) yes
C(18) C(19) H(19) 1_555 1_555 1_555 121.05(2) yes
H(18) C(19) H(19) 1_555 1_555 1_555 95.369(15) yes
P(1) C(20) C(21) 1_555 1_555 1_555 120.675(18) yes
P(1) C(20) C(25) 1_555 1_555 1_555 120.184(19) yes
P(1) C(20) H(21) 1_555 1_555 1_555 94.642(10) yes
P(1) C(20) H(25) 1_555 1_555 1_555 94.226(10) yes
C(21) C(20) C(25) 1_555 1_555 1_555 119.14(2) yes
C(21) C(20) H(21) 1_555 1_555 1_555 26.050(11) yes
C(21) C(20) H(25) 1_555 1_555 1_555 145.093(18) yes
C(25) C(20) H(21) 1_555 1_555 1_555 145.153(19) yes
C(25) C(20) H(25) 1_555 1_555 1_555 25.974(12) yes
H(21) C(20) H(25) 1_555 1_555 1_555 171.127(12) yes
C(20) C(21) C(22) 1_555 1_555 1_555 120.50(2) yes
C(20) C(21) H(19) 1_555 1_555 1_555 85.357(14) yes
C(20) C(21) H(21) 1_555 1_555 1_555 119.07(2) yes
C(20) C(21) H(22) 1_555 1_555 1_555 146.558(19) yes
C(22) C(21) H(19) 1_555 1_555 1_555 115.279(18) yes
C(22) C(21) H(21) 1_555 1_555 1_555 120.43(2) yes
C(22) C(21) H(22) 1_555 1_555 1_555 26.059(13) yes
H(19) C(21) H(21) 1_555 1_555 1_555 68.839(12) yes
H(19) C(21) H(22) 1_555 1_555 1_555 108.001(10) yes
H(21) C(21) H(22) 1_555 1_555 1_555 94.367(15) yes
C(21) C(22) C(23) 1_555 1_555 1_555 119.98(2) yes
C(21) C(22) H(21) 1_555 1_555 1_555 25.661(12) yes
C(21) C(22) H(22) 1_555 1_555 1_555 119.47(3) yes
C(21) C(22) H(23) 1_555 1_555 1_555 145.71(2) yes
C(23) C(22) H(21) 1_555 1_555 1_555 145.62(2) yes
C(23) C(22) H(22) 1_555 1_555 1_555 120.53(2) yes
C(23) C(22) H(23) 1_555 1_555 1_555 25.742(13) yes
H(21) C(22) H(22) 1_555 1_555 1_555 93.809(17) yes
H(21) C(22) H(23) 1_555 1_555 1_555 171.262(14) yes
H(22) C(22) H(23) 1_555 1_555 1_555 94.787(16) yes
C(22) C(23) C(24) 1_555 1_555 1_555 119.68(2) yes
C(22) C(23) H(22) 1_555 1_555 1_555 25.544(12) yes
C(22) C(23) H(23) 1_555 1_555 1_555 120.05(3) yes
C(22) C(23) H(24) 1_555 1_555 1_555 145.51(2) yes
C(24) C(23) H(22) 1_555 1_555 1_555 145.20(2) yes
C(24) C(23) H(23) 1_555 1_555 1_555 120.26(3) yes
C(24) C(23) H(24) 1_555 1_555 1_555 25.831(12) yes
H(22) C(23) H(23) 1_555 1_555 1_555 94.51(2) yes
H(22) C(23) H(24) 1_555 1_555 1_555 171.013(14) yes
H(23) C(23) H(24) 1_555 1_555 1_555 94.441(19) yes
C(23) C(24) C(25) 1_555 1_555 1_555 120.54(2) yes
C(23) C(24) H(23) 1_555 1_555 1_555 25.735(13) yes
C(23) C(24) H(24) 1_555 1_555 1_555 120.03(3) yes
C(23) C(24) H(25) 1_555 1_555 1_555 146.03(2) yes
C(25) C(24) H(23) 1_555 1_555 1_555 146.26(2) yes
C(25) C(24) H(24) 1_555 1_555 1_555 119.37(3) yes
C(25) C(24) H(25) 1_555 1_555 1_555 25.625(12) yes
H(23) C(24) H(24) 1_555 1_555 1_555 94.306(17) yes
H(23) C(24) H(25) 1_555 1_555 1_555 171.447(15) yes
H(24) C(24) H(25) 1_555 1_555 1_555 93.756(18) yes
C(20) C(25) C(24) 1_555 1_555 1_555 120.07(2) yes
C(20) C(25) H(24) 1_555 1_555 1_555 146.09(2) yes
C(20) C(25) H(25) 1_555 1_555 1_555 119.52(2) yes
C(24) C(25) H(24) 1_555 1_555 1_555 26.029(13) yes
C(24) C(25) H(25) 1_555 1_555 1_555 120.34(2) yes
H(24) C(25) H(25) 1_555 1_555 1_555 94.326(15) yes
C(1) H(1) C(2) 1_555 1_555 1_555 30.088(19) yes
C(1) H(1) C(6) 1_555 1_555 1_555 31.280(18) yes
C(2) H(1) C(6) 1_555 1_555 1_555 61.367(11) yes
C(1) H(2) C(2) 1_555 1_555 1_555 29.402(19) yes
C(1) H(2) C(3) 1_555 1_555 1_555 61.542(11) yes
C(1) H(2) H(18) 1_555 1_555 1_455 96.512(7) yes
C(2) H(2) C(3) 1_555 1_555 1_555 32.707(19) yes
C(2) H(2) H(18) 1_555 1_555 1_455 101.831(16) yes
C(3) H(2) H(18) 1_555 1_555 1_455 96.244(8) yes
C(2) H(3) C(3) 1_555 1_555 1_555 38.50(2) yes
C(2) H(3) C(4) 1_555 1_555 1_555 63.520(11) yes
C(2) H(3) C(7) 1_555 1_555 1_555 63.372(12) yes
C(2) H(3) H(12) 1_555 1_555 2_776 97.659(8) yes
C(2) H(3) H(13) 1_555 1_555 2_776 136.024(8) yes
C(3) H(3) C(4) 1_555 1_555 1_555 37.226(19) yes
C(3) H(3) C(7) 1_555 1_555 1_555 36.117(18) yes
C(3) H(3) H(12) 1_555 1_555 2_776 126.862(17) yes
C(3) H(3) H(13) 1_555 1_555 2_776 121.788(18) yes
C(4) H(3) C(7) 1_555 1_555 1_555 62.923(11) yes
C(4) H(3) H(12) 1_555 1_555 2_776 108.442(8) yes
C(4) H(3) H(13) 1_555 1_555 2_776 84.812(8) yes
C(7) H(3) H(12) 1_555 1_555 2_776 160.956(8) yes
C(7) H(3) H(13) 1_555 1_555 2_776 129.231(9) yes
H(12) H(3) H(13) 2_776 1_555 2_776 62.754594614823 yes
C(3) H(4) C(4) 1_555 1_555 1_555 32.488(18) yes
C(3) H(4) C(5) 1_555 1_555 1_555 61.876(11) yes
C(3) H(4) H(15) 1_555 1_555 1_555 94.161(8) yes
C(4) H(4) C(5) 1_555 1_555 1_555 31.408(19) yes
C(4) H(4) H(15) 1_555 1_555 1_555 101.601(16) yes
C(5) H(4) H(15) 1_555 1_555 1_555 119.083(7) yes
C(4) H(5) C(5) 1_555 1_555 1_555 29.848(18) yes
C(4) H(5) C(6) 1_555 1_555 1_555 62.222(11) yes
C(4) H(5) H(9) 1_555 1_555 1_555 120.597(8) yes
C(5) H(5) C(6) 1_555 1_555 1_555 34.546(17) yes
C(5) H(5) H(9) 1_555 1_555 1_555 132.225(15) yes
C(6) H(5) H(9) 1_555 1_555 1_555 145.388(8) yes
C(1) H(6) C(5) 1_555 1_555 1_555 63.351(11) yes
C(1) H(6) C(6) 1_555 1_555 1_555 36.099(19) yes
C(1) H(6) C(7) 1_555 1_555 1_555 62.855(12) yes
C(5) H(6) C(6) 1_555 1_555 1_555 38.725(18) yes
C(5) H(6) C(7) 1_555 1_555 1_555 63.548(11) yes
C(6) H(6) C(7) 1_555 1_555 1_555 36.985(18) yes
C(3) H(7B) C(6) 1_555 1_555 1_555 60.990(11) yes
C(3) H(7B) C(7) 1_555 1_555 1_555 40.047(19) yes
C(3) H(7B) H(7A) 1_555 1_555 1_555 65.614(9) yes
C(6) H(7B) C(7) 1_555 1_555 1_555 39.13(2) yes
C(6) H(7B) H(7A) 1_555 1_555 1_555 65.955(8) yes
C(7) H(7B) H(7A) 1_555 1_555 1_555 35.009(17) yes
C(3) H(7A) C(6) 1_555 1_555 1_555 61.314(11) yes
C(3) H(7A) C(7) 1_555 1_555 1_555 40.69(2) yes
C(3) H(7A) H(7B) 1_555 1_555 1_555 66.367(9) yes
C(6) H(7A) C(7) 1_555 1_555 1_555 39.56(2) yes
C(6) H(7A) H(7B) 1_555 1_555 1_555 66.441(8) yes
C(7) H(7A) H(7B) 1_555 1_555 1_555 35.010(18) yes
C(8) H(9) C(9) 1_555 1_555 1_555 35.631(14) yes
C(8) H(9) C(10) 1_555 1_555 1_555 68.954(9) yes
C(8) H(9) H(5) 1_555 1_555 1_555 86.694(6) yes
C(9) H(9) C(10) 1_555 1_555 1_555 33.324(15) yes
C(9) H(9) H(5) 1_555 1_555 1_555 90.590(13) yes
C(10) H(9) H(5) 1_555 1_555 1_555 94.376(7) yes
C(9) H(10) C(10) 1_555 1_555 1_555 34.098(16) yes
C(9) H(10) C(11) 1_555 1_555 1_555 68.283(10) yes
C(10) H(10) C(11) 1_555 1_555 1_555 34.185(16) yes
C(10) H(11) C(11) 1_555 1_555 1_555 33.527(17) yes
C(10) H(11) C(12) 1_555 1_555 1_555 68.433(10) yes
C(11) H(11) C(12) 1_555 1_555 1_555 34.908(17) yes
C(11) H(12) C(12) 1_555 1_555 1_555 34.195(16) yes
C(11) H(12) C(13) 1_555 1_555 1_555 68.543(10) yes
C(11) H(12) H(3) 1_555 1_555 2_776 149.067(7) yes
C(12) H(12) C(13) 1_555 1_555 1_555 34.364(16) yes
C(12) H(12) H(3) 1_555 1_555 2_776 116.929(15) yes
C(13) H(12) H(3) 1_555 1_555 2_776 83.321(6) yes
C(8) H(13) C(12) 1_555 1_555 1_555 68.707(9) yes
C(8) H(13) C(13) 1_555 1_555 1_555 34.039(14) yes
C(8) H(13) H(3) 1_555 1_555 2_776 148.518(6) yes
C(12) H(13) C(13) 1_555 1_555 1_555 34.670(14) yes
C(12) H(13) H(3) 1_555 1_555 2_776 84.060(7) yes
C(13) H(13) H(3) 1_555 1_555 2_776 117.200(13) yes
C(14) H(15) C(15) 1_555 1_555 1_555 33.297(14) yes
C(14) H(15) C(16) 1_555 1_555 1_555 68.827(10) yes
C(14) H(15) H(4) 1_555 1_555 1_555 107.583(6) yes
C(15) H(15) C(16) 1_555 1_555 1_555 35.542(15) yes
C(15) H(15) H(4) 1_555 1_555 1_555 133.468(15) yes
C(16) H(15) H(4) 1_555 1_555 1_555 149.271(9) yes
C(15) H(16) C(16) 1_555 1_555 1_555 33.837(16) yes
C(15) H(16) C(17) 1_555 1_555 1_555 68.484(10) yes
C(16) H(16) C(17) 1_555 1_555 1_555 34.690(16) yes
C(16) H(17) C(17) 1_555 1_555 1_555 34.970(18) yes
C(16) H(17) C(18) 1_555 1_555 1_555 68.133(11) yes
C(16) H(17) H(24) 1_555 1_555 1_554 123.868(7) yes
C(17) H(17) C(18) 1_555 1_555 1_555 33.168(18) yes
C(17) H(17) H(24) 1_555 1_555 1_554 153.937(16) yes
C(18) H(17) H(24) 1_555 1_555 1_554 157.927(7) yes
C(17) H(18) C(18) 1_555 1_555 1_555 34.515(16) yes
C(17) H(18) C(19) 1_555 1_555 1_555 68.528(10) yes
C(17) H(18) H(2) 1_555 1_555 1_655 150.425(8) yes
C(18) H(18) C(19) 1_555 1_555 1_555 34.025(16) yes
C(18) H(18) H(2) 1_555 1_555 1_655 151.700(15) yes
C(19) H(18) H(2) 1_555 1_555 1_655 125.422(7) yes
C(14) H(19) C(18) 1_555 1_555 1_555 68.781(9) yes
C(14) H(19) C(19) 1_555 1_555 1_555 35.203(14) yes
C(14) H(19) C(21) 1_555 1_555 1_555 98.371(9) yes
C(14) H(19) H(21) 1_555 1_555 1_555 94.205(6) yes
C(18) H(19) C(19) 1_555 1_555 1_555 33.582(14) yes
C(18) H(19) C(21) 1_555 1_555 1_555 160.199(10) yes
C(18) H(19) H(21) 1_555 1_555 1_555 135.276(8) yes
C(19) H(19) C(21) 1_555 1_555 1_555 132.057(14) yes
C(19) H(19) H(21) 1_555 1_555 1_555 119.155(14) yes
C(21) H(19) H(21) 1_555 1_555 1_555 27.157(6) yes
C(20) H(21) C(21) 1_555 1_555 1_555 34.883(14) yes
C(20) H(21) C(22) 1_555 1_555 1_555 68.795(10) yes
C(20) H(21) H(19) 1_555 1_555 1_555 74.659(6) yes
C(21) H(21) C(22) 1_555 1_555 1_555 33.913(15) yes
C(21) H(21) H(19) 1_555 1_555 1_555 84.004(13) yes
C(22) H(21) H(19) 1_555 1_555 1_555 94.693(7) yes
C(21) H(22) C(22) 1_555 1_555 1_555 34.471(16) yes
C(21) H(22) C(23) 1_555 1_555 1_555 68.390(10) yes
C(22) H(22) C(23) 1_555 1_555 1_555 33.929(16) yes
C(22) H(23) C(23) 1_555 1_555 1_555 34.209(19) yes
C(22) H(23) C(24) 1_555 1_555 1_555 68.210(10) yes
C(23) H(23) C(24) 1_555 1_555 1_555 34.007(19) yes
C(23) H(24) C(24) 1_555 1_555 1_555 34.142(17) yes
C(23) H(24) C(25) 1_555 1_555 1_555 68.716(10) yes
C(23) H(24) H(17) 1_555 1_555 1_556 122.583(7) yes
C(24) H(24) C(25) 1_555 1_555 1_555 34.601(17) yes
C(24) H(24) H(17) 1_555 1_555 1_556 145.291(15) yes
C(25) H(24) H(17) 1_555 1_555 1_556 146.610(7) yes
C(20) H(25) C(24) 1_555 1_555 1_555 68.507(9) yes
C(20) H(25) C(25) 1_555 1_555 1_555 34.502(14) yes
C(24) H(25) C(25) 1_555 1_555 1_555 34.031(15) yes
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
RH(1) CL(1) 1_555 1_555 2.36254(6) yes
RH(1) P(1) 1_555 1_555 2.30341(6) yes
RH(1) C(1) 1_555 1_555 2.2193(3) yes
RH(1) C(2) 1_555 1_555 2.2192(3) yes
RH(1) C(4) 1_555 1_555 2.1087(3) yes
RH(1) C(5) 1_555 1_555 2.1058(3) yes
P(1) C(8) 1_555 1_555 1.8322(2) yes
P(1) C(14) 1_555 1_555 1.8287(2) yes
P(1) C(20) 1_555 1_555 1.8242(2) yes
C(1) C(2) 1_555 1_555 1.3845(4) yes
C(1) C(3) 1_555 1_555 2.3443(4) yes
C(1) C(5) 1_555 1_555 2.3748(4) yes
C(1) C(6) 1_555 1_555 1.5386(4) yes
C(1) C(7) 1_555 1_555 2.3788(5) yes
C(1) H(1) 1_555 1_555 1.1000(3) yes
C(1) H(2) 1_555 1_555 2.2332(3) yes
C(1) H(6) 1_555 1_555 2.2843(3) yes
C(2) C(3) 1_555 1_555 1.5390(5) yes
C(2) C(4) 1_555 1_555 2.3736(5) yes
C(2) C(6) 1_555 1_555 2.3459(4) yes
C(2) C(7) 1_555 1_555 2.3827(5) yes
C(2) H(1) 1_555 1_555 2.2218(3) yes
C(2) H(2) 1_555 1_555 1.1000(3) yes
C(2) H(3) 1_555 1_555 2.2391(3) yes
C(3) C(4) 1_555 1_555 1.5449(5) yes
C(3) C(5) 1_555 1_555 2.3617(5) yes
C(3) C(6) 1_555 1_555 2.2619(4) yes
C(3) C(7) 1_555 1_555 1.5497(4) yes
C(3) H(2) 1_555 1_555 2.3452(4) yes
C(3) H(3) 1_555 1_555 1.1000(3) yes
C(3) H(4) 1_555 1_555 2.3554(3) yes
C(3) H(7B) 1_555 1_555 2.2207(3) yes
C(3) H(7A) 1_555 1_555 2.2078(3) yes
C(4) C(5) 1_555 1_555 1.4164(4) yes
C(4) C(6) 1_555 1_555 2.3650(4) yes
C(4) C(7) 1_555 1_555 2.3834(4) yes
C(4) H(3) 1_555 1_555 2.2702(3) yes
C(4) H(4) 1_555 1_555 1.1000(3) yes
C(4) H(5) 1_555 1_555 2.2604(3) yes
C(5) C(6) 1_555 1_555 1.5416(4) yes
C(5) C(7) 1_555 1_555 2.3780(4) yes
C(5) H(4) 1_555 1_555 2.2341(3) yes
C(5) H(5) 1_555 1_555 1.1000(3) yes
C(5) H(6) 1_555 1_555 2.2377(3) yes
C(6) C(7) 1_555 1_555 1.5478(5) yes
C(6) H(1) 1_555 1_555 2.3688(3) yes
C(6) H(5) 1_555 1_555 2.3158(3) yes
C(6) H(6) 1_555 1_555 1.1000(3) yes
C(6) H(7B) 1_555 1_555 2.2366(3) yes
C(6) H(7A) 1_555 1_555 2.2282(3) yes
C(7) H(3) 1_555 1_555 2.2961(3) yes
C(7) H(6) 1_555 1_555 2.2779(3) yes
C(7) H(7B) 1_555 1_555 1.1000(4) yes
C(7) H(7A) 1_555 1_555 1.1000(3) yes
C(8) C(9) 1_555 1_555 1.4059(3) yes
C(8) C(13) 1_555 1_555 1.3991(3) yes
C(8) H(9) 1_555 1_555 2.1351(2) yes
C(8) H(13) 1_555 1_555 2.1567(2) yes
C(9) C(10) 1_555 1_555 1.3952(4) yes
C(9) H(9) 1_555 1_555 1.0800(2) yes
C(9) H(10) 1_555 1_555 2.1513(2) yes
C(10) C(11) 1_555 1_555 1.3972(4) yes
C(10) H(9) 1_555 1_555 2.1652(3) yes
C(10) H(10) 1_555 1_555 1.0800(3) yes
C(10) H(11) 1_555 1_555 2.1638(3) yes
C(11) C(12) 1_555 1_555 1.3948(4) yes
C(11) H(10) 1_555 1_555 2.1520(3) yes
C(11) H(11) 1_555 1_555 1.0800(3) yes
C(11) H(12) 1_555 1_555 2.1491(3) yes
C(12) C(13) 1_555 1_555 1.3972(4) yes
C(12) H(11) 1_555 1_555 2.1361(3) yes
C(12) H(12) 1_555 1_555 1.0800(3) yes
C(12) H(13) 1_555 1_555 2.1432(3) yes
C(13) H(12) 1_555 1_555 2.1488(2) yes
C(13) H(13) 1_555 1_555 1.0800(2) yes
C(14) C(15) 1_555 1_555 1.4021(3) yes
C(14) C(19) 1_555 1_555 1.3995(3) yes
C(14) H(15) 1_555 1_555 2.1733(2) yes
C(14) H(19) 1_555 1_555 2.1358(2) yes
C(15) C(16) 1_555 1_555 1.3947(4) yes
C(15) H(15) 1_555 1_555 1.0800(3) yes
C(15) H(16) 1_555 1_555 2.1554(2) yes
C(16) C(17) 1_555 1_555 1.3918(4) yes
C(16) H(15) 1_555 1_555 2.1241(3) yes
C(16) H(16) 1_555 1_555 1.0800(3) yes
C(16) H(17) 1_555 1_555 2.1315(3) yes
C(17) C(18) 1_555 1_555 1.3899(4) yes
C(17) H(16) 1_555 1_555 2.1367(3) yes
C(17) H(17) 1_555 1_555 1.0800(3) yes
C(17) H(18) 1_555 1_555 2.1378(3) yes
C(18) C(19) 1_555 1_555 1.3944(3) yes
C(18) H(17) 1_555 1_555 2.1621(3) yes
C(18) H(18) 1_555 1_555 1.0800(3) yes
C(18) H(19) 1_555 1_555 2.1596(3) yes
C(19) H(18) 1_555 1_555 2.1517(2) yes
C(19) H(19) 1_555 1_555 1.0800(3) yes
C(20) C(21) 1_555 1_555 1.4065(3) yes
C(20) C(25) 1_555 1_555 1.3968(3) yes
C(20) H(21) 1_555 1_555 2.1496(2) yes
C(20) H(25) 1_555 1_555 2.1458(2) yes
C(21) C(22) 1_555 1_555 1.3915(4) yes
C(21) H(19) 1_555 1_555 2.3533(2) yes
C(21) H(21) 1_555 1_555 1.0800(2) yes
C(21) H(22) 1_555 1_555 2.1404(2) yes
C(22) C(23) 1_555 1_555 1.3980(4) yes
C(22) H(21) 1_555 1_555 2.1505(3) yes
C(22) H(22) 1_555 1_555 1.0800(3) yes
C(22) H(23) 1_555 1_555 2.1524(3) yes
C(23) C(24) 1_555 1_555 1.3911(4) yes
C(23) H(22) 1_555 1_555 2.1575(3) yes
C(23) H(23) 1_555 1_555 1.0800(3) yes
C(23) H(24) 1_555 1_555 2.1460(3) yes
C(24) C(25) 1_555 1_555 1.3976(4) yes
C(24) H(23) 1_555 1_555 2.1484(3) yes
C(24) H(24) 1_555 1_555 1.0800(3) yes
C(24) H(25) 1_555 1_555 2.1552(3) yes
C(25) H(24) 1_555 1_555 2.1448(2) yes
C(25) H(25) 1_555 1_555 1.0800(3) yes
H(2) H(18) 1_555 1_455 2.3519533266551 yes
H(3) H(12) 1_555 2_776 2.370714655188 yes
H(3) H(13) 1_555 2_776 2.3575988319441 yes
H(4) H(15) 1_555 1_555 2.3571996447756 yes
H(5) H(9) 1_555 1_555 2.3030981384318 yes
H(7B) H(7A) 1_555 1_555 1.8019236898483 yes
H(17) H(24) 1_555 1_554 2.2004215763487 yes
H(19) H(21) 1_555 1_555 2.2066644139004 yes
