#------------------------------------------------------------------------------
#$Date: 2022-06-06 05:07:59 +0300 (Mon, 06 Jun 2022) $
#$Revision: 275834 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/68/1566830.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_1566830
loop_
_publ_author_name
'Sumitani, Ryo'
'Yamanaka, Masamichi'
'Mochida, Tomoyuki'
_publ_section_title
;
 On-demand gelation of ionic liquids using photoresponsive organometallic
 gelators.
;
_journal_issue                   18
_journal_name_full               'Soft matter'
_journal_page_first              3479
_journal_page_last               3486
_journal_paper_doi               10.1039/d2sm00307d
_journal_volume                  18
_journal_year                    2022
_chemical_formula_sum            'C24 H37 F6 N2 O P Ru'
_chemical_formula_weight         615.59
_chemical_name_common            RuGelatorBz1PF6
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_update_record
;
2021-11-09 deposited with the CCDC.	2022-04-12 downloaded from the CCDC.
;
_cell_angle_alpha                95.325(6)
_cell_angle_beta                 97.691(8)
_cell_angle_gamma                96.476(6)
_cell_formula_units_Z            4
_cell_length_a                   9.637(4)
_cell_length_b                   9.944(5)
_cell_length_c                   27.528(13)
_cell_measurement_reflns_used    3900
_cell_measurement_temperature    90.(2)
_cell_measurement_theta_max      28.6506
_cell_measurement_theta_min      2.2816
_cell_volume                     2582(2)
_computing_cell_refinement       'SAINT V8.38A (Bruker AXS Inc., 2017)'
_computing_data_reduction        'SAINT V8.38A (Bruker AXS Inc., 2017)'
_computing_molecular_graphics    'shelXle (C.B. Huebschle, rev 833)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      90.(2)
_diffrn_detector_area_resol_mean 8.3333
_diffrn_measured_fraction_theta_full 0.953
_diffrn_measured_fraction_theta_max 0.953
_diffrn_measurement_device_type  'Bruker APEXII CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  'Bruker Helios multilayer confocal mirror'
_diffrn_radiation_source         'Bruker TXS fine-focus rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0363
_diffrn_reflns_av_unetI/netI     0.0889
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            9148
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         1.50
_diffrn_source                   'rotating-anode X-ray tube'
_diffrn_source_type              'Bruker Turbo X-ray Source'
_exptl_absorpt_coefficient_mu    0.733
_exptl_absorpt_correction_T_max  0.97
_exptl_absorpt_correction_T_min  0.75
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 - Bruker AXS area detector scaling and absorption correction
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.584
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1264
_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent'
_exptl_crystal_size_max          0.091
_exptl_crystal_size_mid          0.046
_exptl_crystal_size_min          0.044
_refine_diff_density_max         2.739
_refine_diff_density_min         -2.055
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.098
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     663
_refine_ls_number_reflns         8225
_refine_ls_number_restraints     972
_refine_ls_restrained_S_all      1.044
_refine_ls_R_factor_all          0.1393
_refine_ls_R_factor_gt           0.1041
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+114.7043P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2448
_refine_ls_wR_factor_ref         0.2643
_reflns_number_gt                6056
_reflns_number_total             8225
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2sm00307d2.cif
_cod_data_source_block           RuGelator1PF6
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'Multi-Scan' was
changed to 'multi-scan' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 

 Adding full bibliography for 1566830.cif.
;
_cod_original_cell_volume        2582.(2)
_cod_database_code               1566830
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_refinement_flags_posn
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru Ru1 1.03307(14) 1.25664(11) 0.16427(4) 0.0208(3) Uani d U . . 1.0 . .
P P1 0.9389(4) 0.7138(4) 0.05336(14) 0.0208(8) Uani d U . . 1.0 . .
P P2 0.5403(5) 1.2667(4) 0.19036(18) 0.0360(11) Uani d U . . 1.0 . .
Ru Ru2 0.44930(13) 0.72904(11) 0.07100(4) 0.0183(3) Uani d U . . 1.0 . .
F F1 0.9800(10) 0.8568(8) 0.0350(3) 0.033(2) Uani d U . . 1.0 . .
F F2 1.0656(10) 0.7468(9) 0.0980(3) 0.035(2) Uani d U . . 1.0 . .
F F3 0.8393(10) 0.7797(9) 0.0878(3) 0.035(2) Uani d U . . 1.0 . .
F F4 0.8112(10) 0.6789(9) 0.0091(3) 0.036(2) Uani d U . . 1.0 . .
F F5 1.0394(10) 0.6460(8) 0.0197(3) 0.034(2) Uani d U . . 1.0 . .
F F6 0.8997(11) 0.5689(8) 0.0725(4) 0.039(2) Uani d U . . 1.0 . .
F F7 0.6566(11) 1.2143(10) 0.2286(4) 0.046(3) Uani d U . . 1.0 . .
F F8 0.6382(11) 1.2561(10) 0.1483(4) 0.045(3) Uani d U . . 1.0 . .
F F9 0.4721(12) 1.1116(10) 0.1731(4) 0.049(3) Uani d U . . 1.0 . .
F F10 0.4386(12) 1.2740(11) 0.2321(4) 0.051(3) Uani d U . . 1.0 . .
F F11 0.6089(12) 1.4197(9) 0.2083(4) 0.048(3) Uani d U . . 1.0 . .
F F12 0.4224(12) 1.3173(10) 0.1524(4) 0.049(3) Uani d U . . 1.0 . .
O O1 0.8093(12) 0.8927(9) 0.2120(4) 0.026(2) Uani d U . . 1.0 . .
O O2 0.2943(12) 0.8097(10) 0.2143(4) 0.030(3) Uani d U . . 1.0 . .
N N1 1.0345(14) 0.9351(11) 0.1935(4) 0.022(3) Uani d U . . 1.0 . .
H H1 1.121737 0.918613 0.202038 0.027 Uiso calc U . R 1.0 . .
N N2 0.9801(14) 0.7791(11) 0.2456(4) 0.023(3) Uani d U . . 1.0 . .
H H2X 1.069363 0.765629 0.247853 0.028 Uiso calc U . R 1.0 . .
N N3 0.5126(14) 0.7822(12) 0.1934(4) 0.025(3) Uani d U . . 1.0 . .
H H3 0.603212 0.805613 0.203984 0.03 Uiso calc U . R 1.0 . .
N N4 0.4856(16) 0.9360(13) 0.2568(5) 0.032(3) Uani d U . . 1.0 . .
H H4X 0.578202 0.953923 0.261338 0.038 Uiso calc U . R 1.0 . .
C C1 0.9796(18) 1.3378(14) 0.2334(5) 0.025(3) Uani d U . . 1.0 . .
H H1A 0.920985 1.284944 0.251584 0.03 Uiso calc U . R 1.0 . .
C C2 1.1292(18) 1.3454(14) 0.2382(5) 0.026(3) Uani d U . . 1.0 . .
H H2 1.187824 1.30238 0.260861 0.032 Uiso calc U . R 1.0 . .
C C3 1.1734(18) 1.4265(15) 0.2038(5) 0.028(3) Uani d U . . 1.0 . .
H H3A 1.268135 1.444924 0.197798 0.034 Uiso calc U . R 1.0 . .
C C4 1.0548(18) 1.4787(15) 0.1786(6) 0.028(3) Uani d U . . 1.0 . .
H H4 1.056753 1.539666 0.154026 0.033 Uiso calc U . R 1.0 . .
C C5 0.9320(18) 1.4211(14) 0.1976(5) 0.026(3) Uani d U . . 1.0 . .
H H5 0.837137 1.436199 0.18783 0.031 Uiso calc U . R 1.0 . .
C C6 1.0124(16) 1.0265(13) 0.1578(5) 0.019(3) Uani d U . . 1.0 . .
C C7 1.1416(16) 1.0814(14) 0.1396(5) 0.022(3) Uani d U . . 1.0 . .
H H7 1.232033 1.060137 0.152452 0.026 Uiso calc U . R 1.0 . .
C C8 1.1231(19) 1.1668(15) 0.1024(6) 0.030(3) Uani d U . . 1.0 . .
H H8 1.204635 1.199471 0.088934 0.036 Uiso calc U . R 1.0 . .
C C9 1.0033(17) 1.2058(14) 0.0845(5) 0.024(3) Uani d U . . 1.0 . .
H H9 0.998388 1.265695 0.05954 0.029 Uiso calc U . R 1.0 . .
C C10 0.8835(16) 1.1558(14) 0.1034(5) 0.022(3) Uani d U . . 1.0 . .
H H10 0.795469 1.181755 0.090219 0.027 Uiso calc U . R 1.0 . .
C C11 0.8853(17) 1.0704(14) 0.1404(5) 0.024(3) Uani d U . . 1.0 . .
H H11 0.801623 1.042591 0.153496 0.029 Uiso calc U . R 1.0 . .
C C12 0.9310(16) 0.8693(13) 0.2161(5) 0.021(3) Uani d U . . 1.0 . .
C C13 0.886(2) 0.7032(16) 0.2739(6) 0.034(3) Uani d U . . 1.0 . .
H H13A 0.820072 0.633126 0.251691 0.041 Uiso calc U . R 1.0 . .
H H13B 0.829718 0.765714 0.290629 0.041 Uiso calc U . R 1.0 . .
C C14 0.9770(18) 0.6354(14) 0.3123(5) 0.026(3) Uani d U . . 1.0 . .
H H14A 1.035332 0.576371 0.295073 0.032 Uiso calc U . R 1.0 . .
H H14B 1.04171 0.706897 0.334292 0.032 Uiso calc U . R 1.0 . .
C C15 0.8904(18) 0.5504(15) 0.3434(5) 0.028(3) Uani d U . . 1.0 . .
H H15A 0.826357 0.478397 0.321447 0.033 Uiso calc U . R 1.0 . .
H H15B 0.831275 0.609303 0.360358 0.033 Uiso calc U . R 1.0 . .
C C16 0.9806(18) 0.4843(15) 0.3819(5) 0.028(3) Uani d U . . 1.0 . .
H H16A 1.049741 0.555583 0.402192 0.034 Uiso calc U . R 1.0 . .
H H16B 1.034107 0.41987 0.364802 0.034 Uiso calc U . R 1.0 . .
C C17 0.8939(19) 0.4078(16) 0.4157(6) 0.033(3) Uani d U . . 1.0 . .
H H17A 0.823533 0.337413 0.395467 0.039 Uiso calc U . R 1.0 . .
H H17B 0.84194 0.472388 0.433439 0.039 Uiso calc U . R 1.0 . .
C C18 0.9865(19) 0.3396(16) 0.4535(6) 0.032(3) Uani d U . . 1.0 . .
H H18A 1.057443 0.409531 0.473724 0.038 Uiso calc U . R 1.0 . .
H H18B 1.037391 0.273731 0.435973 0.038 Uiso calc U . R 1.0 . .
C C19 0.895(2) 0.2642(16) 0.4878(6) 0.034(3) Uani d U . . 1.0 . .
H H19A 0.843988 0.329686 0.505483 0.041 Uiso calc U . R 1.0 . .
H H19B 0.824257 0.193581 0.467751 0.041 Uiso calc U . R 1.0 . .
C C20 0.9929(19) 0.1969(15) 0.5255(6) 0.031(3) Uani d U . . 1.0 . .
H H20A 1.044915 0.133215 0.50745 0.037 Uiso calc U . R 1.0 . .
H H20B 1.062984 0.268301 0.545377 0.037 Uiso calc U . R 1.0 . .
C C21 0.9089(19) 0.1189(16) 0.5603(6) 0.032(3) Uani d U . . 1.0 . .
H H21A 0.856018 0.182952 0.577769 0.038 Uiso calc U . R 1.0 . .
H H21B 0.839112 0.047793 0.540128 0.038 Uiso calc U . R 1.0 . .
C C22 0.9990(19) 0.0523(16) 0.5980(6) 0.032(3) Uani d U . . 1.0 . .
H H22A 1.049351 -0.014115 0.580515 0.038 Uiso calc U . R 1.0 . .
H H22B 1.070909 0.122916 0.617415 0.038 Uiso calc U . R 1.0 . .
C C23 0.917(2) -0.0200(16) 0.6330(6) 0.035(4) Uani d U . . 1.0 . .
H H23A 0.8443 -0.090158 0.613596 0.042 Uiso calc U . R 1.0 . .
H H23B 0.8667 0.046591 0.65065 0.042 Uiso calc U . R 1.0 . .
C C24 1.007(2) -0.0884(16) 0.6712(6) 0.036(4) Uani d U . . 1.0 . .
H H24A 1.05344 -0.157879 0.654194 0.054 Uiso calc U . R 1.0 . .
H H24B 0.947051 -0.131124 0.692938 0.054 Uiso calc U . R 1.0 . .
H H24C 1.078995 -0.019791 0.690776 0.054 Uiso calc U . R 1.0 . .
C C25 0.463(4) 0.948(2) 0.0722(7) 0.018(5) Uani d U P G 0.43(2) A 1
H H25 0.473979 1.009751 0.10132 0.022 Uiso calc U P R 0.43(2) A 1
C C26 0.5735(19) 0.902(3) 0.0484(13) 0.016(5) Uani d U P G 0.43(2) A 1
H H26 0.671696 0.927421 0.058891 0.019 Uiso calc U P R 0.43(2) A 1
C C27 0.512(4) 0.811(3) 0.0063(10) 0.019(5) Uani d U P G 0.43(2) A 1
H H27 0.561089 0.765282 -0.016431 0.022 Uiso calc U P R 0.43(2) A 1
C C28 0.363(4) 0.801(3) 0.0039(10) 0.020(5) Uani d U P G 0.43(2) A 1
H H28 0.295013 0.747404 -0.020553 0.024 Uiso calc U P R 0.43(2) A 1
C C29 0.332(2) 0.886(3) 0.0447(14) 0.020(5) Uani d U P G 0.43(2) A 1
H H29 0.241176 0.898494 0.052222 0.024 Uiso calc U P R 0.43(2) A 1
C C25' 0.522(3) 0.9450(18) 0.0664(7) 0.023(4) Uani d U P G 0.57(2) A 2
H H25' 0.582092 1.001787 0.09234 0.028 Uiso calc U P R 0.57(2) A 2
C C26' 0.5665(16) 0.865(2) 0.0274(10) 0.019(4) Uani d U P G 0.57(2) A 2
H H26' 0.661472 0.858535 0.022563 0.022 Uiso calc U P R 0.57(2) A 2
C C27' 0.444(3) 0.7957(16) -0.0032(5) 0.013(4) Uani d U P G 0.57(2) A 2
H H27' 0.442837 0.734985 -0.032062 0.016 Uiso calc U P R 0.57(2) A 2
C C28' 0.3241(15) 0.833(2) 0.0170(9) 0.015(4) Uani d U P G 0.57(2) A 2
H H28' 0.228332 0.801877 0.003955 0.018 Uiso calc U P R 0.57(2) A 2
C C29' 0.372(3) 0.925(2) 0.0600(7) 0.018(4) Uani d U P G 0.57(2) A 2
H H29' 0.314396 0.96677 0.08084 0.022 Uiso calc U P R 0.57(2) A 2
C C30 0.4775(16) 0.6902(13) 0.1510(5) 0.019(3) Uani d U . . 1.0 . .
C C31 0.5903(16) 0.6483(13) 0.1288(5) 0.019(3) Uani d U . . 1.0 . .
H H31 0.684034 0.683122 0.143217 0.023 Uiso calc U . R 1.0 . .
C C32 0.5692(16) 0.5574(14) 0.0862(5) 0.023(3) Uani d U . . 1.0 . .
H H32 0.647413 0.52976 0.071961 0.028 Uiso calc U . R 1.0 . .
C C33 0.4283(16) 0.5061(13) 0.0642(5) 0.021(3) Uani d U . . 1.0 . .
H H33 0.412594 0.442272 0.035551 0.025 Uiso calc U . R 1.0 . .
C C34 0.3098(15) 0.5503(12) 0.0852(5) 0.017(3) Uani d U . . 1.0 . .
H H34 0.215591 0.517798 0.070646 0.02 Uiso calc U . R 1.0 . .
C C35 0.3396(16) 0.6461(13) 0.1294(5) 0.022(3) Uani d U . . 1.0 . .
H H35 0.263832 0.67912 0.143684 0.026 Uiso calc U . R 1.0 . .
C C36 0.4203(18) 0.8402(15) 0.2205(5) 0.025(3) Uani d U . . 1.0 . .
C C37 0.403(2) 1.0106(16) 0.2890(6) 0.034(3) Uani d U . . 1.0 . .
H H37A 0.340133 0.945012 0.303558 0.041 Uiso calc U . R 1.0 . .
H H37B 0.34364 1.066573 0.269185 0.041 Uiso calc U . R 1.0 . .
C C38 0.4998(18) 1.1010(15) 0.3295(6) 0.029(3) Uani d U . . 1.0 . .
H H38A 0.566696 1.161466 0.314361 0.035 Uiso calc U . R 1.0 . .
H H38B 0.442624 1.159501 0.347501 0.035 Uiso calc U . R 1.0 . .
C C39 0.583(2) 1.0263(16) 0.3658(6) 0.033(3) Uani d U . . 1.0 . .
H H39A 0.655142 1.093216 0.386789 0.04 Uiso calc U . R 1.0 . .
H H39B 0.633076 0.962144 0.347196 0.04 Uiso calc U . R 1.0 . .
C C40 0.5004(19) 0.9476(15) 0.3990(6) 0.031(3) Uani d U . . 1.0 . .
H H40A 0.431475 0.876713 0.378319 0.037 Uiso calc U . R 1.0 . .
H H40B 0.446556 1.010204 0.416683 0.037 Uiso calc U . R 1.0 . .
C C41 0.5908(18) 0.8798(15) 0.4365(5) 0.029(3) Uani d U . . 1.0 . .
H H41A 0.662346 0.950154 0.456222 0.035 Uiso calc U . R 1.0 . .
H H41B 0.641636 0.814363 0.418747 0.035 Uiso calc U . R 1.0 . .
C C42 0.5083(19) 0.8045(16) 0.4716(6) 0.033(3) Uani d U . . 1.0 . .
H H42A 0.458371 0.870393 0.489613 0.04 Uiso calc U . R 1.0 . .
H H42B 0.43572 0.735306 0.451805 0.04 Uiso calc U . R 1.0 . .
C C43 0.596(2) 0.7345(16) 0.5090(6) 0.036(4) Uani d U . . 1.0 . .
H H43A 0.668308 0.803534 0.528896 0.043 Uiso calc U . R 1.0 . .
H H43B 0.645528 0.668351 0.491092 0.043 Uiso calc U . R 1.0 . .
C C44 0.512(2) 0.6594(17) 0.5440(6) 0.035(4) Uani d U . . 1.0 . .
H H44A 0.459955 0.72438 0.561574 0.042 Uiso calc U . R 1.0 . .
H H44B 0.441539 0.587589 0.524533 0.042 Uiso calc U . R 1.0 . .
C C45 0.606(2) 0.5950(17) 0.5816(6) 0.036(4) Uani d U . . 1.0 . .
H H45A 0.677012 0.666869 0.6007 0.044 Uiso calc U . R 1.0 . .
H H45B 0.656876 0.529446 0.563982 0.044 Uiso calc U . R 1.0 . .
C C46 0.524(2) 0.5208(16) 0.6175(6) 0.033(3) Uani d U . . 1.0 . .
H H46A 0.473541 0.586493 0.635426 0.04 Uiso calc U . R 1.0 . .
H H46B 0.45213 0.449374 0.598455 0.04 Uiso calc U . R 1.0 . .
C C47 0.618(2) 0.4564(17) 0.6543(6) 0.040(4) Uani d U . . 1.0 . .
H H47A 0.693767 0.527006 0.671487 0.048 Uiso calc U . R 1.0 . .
H H47B 0.663358 0.386614 0.636277 0.048 Uiso calc U . R 1.0 . .
C C48 0.542(2) 0.3905(17) 0.6924(6) 0.043(4) Uani d U . . 1.0 . .
H H48A 0.468824 0.317964 0.675762 0.064 Uiso calc U . R 1.0 . .
H H48B 0.497572 0.459027 0.710721 0.064 Uiso calc U . R 1.0 . .
H H48C 0.609321 0.351752 0.7152 0.064 Uiso calc U . R 1.0 . .
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'
F F 0.0171 0.0103 '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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 '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'
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_3
_geom_angle
_geom_angle_publ_flag
C10 Ru1 C1 . . 124.8(6) ?
C10 Ru1 C3 . . 154.5(5) ?
C1 Ru1 C3 . . 63.4(6) ?
C10 Ru1 C8 . . 64.4(6) ?
C1 Ru1 C8 . . 169.3(6) ?
C3 Ru1 C8 . . 111.0(6) ?
C10 Ru1 C2 . . 162.2(6) ?
C1 Ru1 C2 . . 38.4(6) ?
C3 Ru1 C2 . . 37.1(6) ?
C8 Ru1 C2 . . 131.7(6) ?
C10 Ru1 C9 . . 37.4(6) ?
C1 Ru1 C9 . . 155.7(6) ?
C3 Ru1 C9 . . 124.7(6) ?
C8 Ru1 C9 . . 34.9(6) ?
C2 Ru1 C9 . . 160.2(6) ?
C10 Ru1 C5 . . 106.3(6) ?
C1 Ru1 C5 . . 37.9(5) ?
C3 Ru1 C5 . . 64.2(6) ?
C8 Ru1 C5 . . 149.9(6) ?
C2 Ru1 C5 . . 63.9(6) ?
C9 Ru1 C5 . . 120.8(6) ?
C10 Ru1 C4 . . 119.2(6) ?
C1 Ru1 C4 . . 63.6(5) ?
C3 Ru1 C4 . . 38.5(6) ?
C8 Ru1 C4 . . 118.5(6) ?
C2 Ru1 C4 . . 63.4(6) ?
C9 Ru1 C4 . . 107.2(5) ?
C5 Ru1 C4 . . 38.4(6) ?
C10 Ru1 C11 . . 37.2(5) ?
C1 Ru1 C11 . . 106.0(6) ?
C3 Ru1 C11 . . 167.2(6) ?
C8 Ru1 C11 . . 78.2(6) ?
C2 Ru1 C11 . . 130.1(6) ?
C9 Ru1 C11 . . 68.0(5) ?
C5 Ru1 C11 . . 112.5(6) ?
C4 Ru1 C11 . . 145.4(6) ?
C10 Ru1 C7 . . 78.2(6) ?
C1 Ru1 C7 . . 135.0(5) ?
C3 Ru1 C7 . . 114.0(6) ?
C8 Ru1 C7 . . 36.9(5) ?
C2 Ru1 C7 . . 110.3(6) ?
C9 Ru1 C7 . . 66.1(5) ?
C5 Ru1 C7 . . 172.9(5) ?
C4 Ru1 C7 . . 144.0(6) ?
C11 Ru1 C7 . . 67.6(6) ?
C10 Ru1 C6 . . 65.3(5) ?
C1 Ru1 C6 . . 111.0(5) ?
C3 Ru1 C6 . . 138.1(6) ?
C8 Ru1 C6 . . 66.4(5) ?
C2 Ru1 C6 . . 111.2(5) ?
C9 Ru1 C6 . . 78.6(5) ?
C5 Ru1 C6 . . 138.4(5) ?
C4 Ru1 C6 . . 174.2(5) ?
C11 Ru1 C6 . . 36.2(5) ?
C7 Ru1 C6 . . 38.2(5) ?
F1 P1 F3 . . 90.3(5) ?
F1 P1 F5 . . 90.6(5) ?
F3 P1 F5 . . 178.9(5) ?
F1 P1 F4 . . 90.6(5) ?
F3 P1 F4 . . 91.0(6) ?
F5 P1 F4 . . 89.7(5) ?
F1 P1 F2 . . 90.2(5) ?
F3 P1 F2 . . 88.9(5) ?
F5 P1 F2 . . 90.5(5) ?
F4 P1 F2 . . 179.1(6) ?
F1 P1 F6 . . 179.1(6) ?
F3 P1 F6 . . 90.0(5) ?
F5 P1 F6 . . 89.1(5) ?
F4 P1 F6 . . 90.3(5) ?
F2 P1 F6 . . 88.9(5) ?
F8 P2 F11 . . 91.3(6) ?
F8 P2 F12 . . 89.6(6) ?
F11 P2 F12 . . 91.2(6) ?
F8 P2 F7 . . 91.0(6) ?
F11 P2 F7 . . 89.4(6) ?
F12 P2 F7 . . 179.1(6) ?
F8 P2 F9 . . 89.1(6) ?
F11 P2 F9 . . 179.0(6) ?
F12 P2 F9 . . 89.6(6) ?
F7 P2 F9 . . 89.7(6) ?
F8 P2 F10 . . 178.5(7) ?
F11 P2 F10 . . 90.2(6) ?
F12 P2 F10 . . 89.9(6) ?
F7 P2 F10 . . 89.5(6) ?
F9 P2 F10 . . 89.4(6) ?
C28 Ru2 C29 . . 38.7(4) ?
C28 Ru2 C27 . . 38.6(4) ?
C29 Ru2 C27 . . 64.5(5) ?
C28 Ru2 C25 . . 64.5(5) ?
C29 Ru2 C25 . . 38.5(4) ?
C27 Ru2 C25 . . 64.2(4) ?
C28 Ru2 C26 . . 64.4(4) ?
C29 Ru2 C26 . . 64.3(4) ?
C27 Ru2 C26 . . 38.3(4) ?
C25 Ru2 C26 . . 38.2(3) ?
C28 Ru2 C33 . . 111.4(7) ?
C29 Ru2 C33 . . 138.2(11) ?
C27 Ru2 C33 . . 112.6(7) ?
C25 Ru2 C33 . . 175.8(7) ?
C26 Ru2 C33 . . 140.8(10) ?
C33 Ru2 C28' . . 120.0(7) ?
C33 Ru2 C29' . . 153.7(9) ?
C28' Ru2 C29' . . 37.7(2) ?
C33 Ru2 C27' . . 108.6(5) ?
C28' Ru2 C27' . . 37.7(2) ?
C29' Ru2 C27' . . 63.0(3) ?
C28 Ru2 C34 . . 109.2(7) ?
C29 Ru2 C34 . . 112.1(8) ?
C27 Ru2 C34 . . 135.5(11) ?
C25 Ru2 C34 . . 141.9(11) ?
C26 Ru2 C34 . . 173.4(9) ?
C33 Ru2 C34 . . 38.3(5) ?
C28' Ru2 C34 . . 106.5(5) ?
C29' Ru2 C34 . . 122.2(8) ?
C27' Ru2 C34 . . 121.7(7) ?
C33 Ru2 C25' . . 163.5(9) ?
C28' Ru2 C25' . . 63.0(3) ?
C29' Ru2 C25' . . 37.6(3) ?
C27' Ru2 C25' . . 62.9(3) ?
C34 Ru2 C25' . . 158.1(9) ?
C33 Ru2 C26' . . 127.1(8) ?
C28' Ru2 C26' . . 62.9(3) ?
C29' Ru2 C26' . . 62.9(3) ?
C27' Ru2 C26' . . 37.6(2) ?
C34 Ru2 C26' . . 157.3(9) ?
C25' Ru2 C26' . . 37.6(3) ?
C12 N1 C6 . . 125.6(13) ?
C12 N1 H1 . . 117.2 ?
C6 N1 H1 . . 117.2 ?
C12 N2 C13 . . 120.4(14) ?
C12 N2 H2X . . 119.8 ?
C13 N2 H2X . . 119.8 ?
C36 N3 C30 . . 126.7(14) ?
C36 N3 H3 . . 116.6 ?
C30 N3 H3 . . 116.6 ?
C36 N4 C37 . . 120.5(14) ?
C36 N4 H4X . . 119.7 ?
C37 N4 H4X . . 119.7 ?
C5 C1 C2 . . 109.3(13) ?
C5 C1 Ru1 . . 72.6(8) ?
C2 C1 Ru1 . . 72.0(8) ?
C5 C1 H1A . . 125.3 ?
C2 C1 H1A . . 125.3 ?
Ru1 C1 H1A . . 121.7 ?
C3 C2 C1 . . 107.5(14) ?
C3 C2 Ru1 . . 70.2(9) ?
C1 C2 Ru1 . . 69.6(8) ?
C3 C2 H2 . . 126.3 ?
C1 C2 H2 . . 126.3 ?
Ru1 C2 H2 . . 125.5 ?
C2 C3 C4 . . 109.5(15) ?
C2 C3 Ru1 . . 72.7(9) ?
C4 C3 Ru1 . . 72.2(9) ?
C2 C3 H3A . . 125.2 ?
C4 C3 H3A . . 125.2 ?
Ru1 C3 H3A . . 121.5 ?
C3 C4 C5 . . 106.8(14) ?
C3 C4 Ru1 . . 69.3(8) ?
C5 C4 Ru1 . . 70.8(8) ?
C3 C4 H4 . . 126.6 ?
C5 C4 H4 . . 126.6 ?
Ru1 C4 H4 . . 125.0 ?
C1 C5 C4 . . 106.7(14) ?
C1 C5 Ru1 . . 69.5(8) ?
C4 C5 Ru1 . . 70.8(8) ?
C1 C5 H5 . . 126.7 ?
C4 C5 H5 . . 126.7 ?
Ru1 C5 H5 . . 124.6 ?
C11 C6 N1 . . 126.7(14) ?
C11 C6 C7 . . 119.0(13) ?
N1 C6 C7 . . 114.2(12) ?
C11 C6 Ru1 . . 69.2(8) ?
N1 C6 Ru1 . . 131.7(10) ?
C7 C6 Ru1 . . 69.7(7) ?
C8 C7 C6 . . 115.9(14) ?
C8 C7 Ru1 . . 69.5(8) ?
C6 C7 Ru1 . . 72.1(7) ?
C8 C7 H7 . . 122.0 ?
C6 C7 H7 . . 122.0 ?
Ru1 C7 H7 . . 128.3 ?
C9 C8 C7 . . 125.6(16) ?
C9 C8 Ru1 . . 72.7(10) ?
C7 C8 Ru1 . . 73.6(8) ?
C9 C8 H8 . . 117.2 ?
C7 C8 H8 . . 117.2 ?
Ru1 C8 H8 . . 129.4 ?
C8 C9 C10 . . 117.3(14) ?
C8 C9 Ru1 . . 72.4(9) ?
C10 C9 Ru1 . . 69.9(8) ?
C8 C9 H9 . . 121.4 ?
C10 C9 H9 . . 121.4 ?
Ru1 C9 H9 . . 128.4 ?
C11 C10 C9 . . 123.7(14) ?
C11 C10 Ru1 . . 73.3(8) ?
C9 C10 Ru1 . . 72.6(9) ?
C11 C10 H10 . . 118.2 ?
C9 C10 H10 . . 118.2 ?
Ru1 C10 H10 . . 128.3 ?
C10 C11 C6 . . 118.3(15) ?
C10 C11 Ru1 . . 69.5(8) ?
C6 C11 Ru1 . . 74.5(9) ?
C10 C11 H11 . . 120.9 ?
C6 C11 H11 . . 120.9 ?
Ru1 C11 H11 . . 127.0 ?
O1 C12 N2 . . 122.6(13) ?
O1 C12 N1 . . 124.4(12) ?
N2 C12 N1 . . 112.9(13) ?
N2 C13 C14 . . 108.1(14) ?
N2 C13 H13A . . 110.1 ?
C14 C13 H13A . . 110.1 ?
N2 C13 H13B . . 110.1 ?
C14 C13 H13B . . 110.1 ?
H13A C13 H13B . . 108.4 ?
C15 C14 C13 . . 113.1(15) ?
C15 C14 H14A . . 109.0 ?
C13 C14 H14A . . 109.0 ?
C15 C14 H14B . . 109.0 ?
C13 C14 H14B . . 109.0 ?
H14A C14 H14B . . 107.8 ?
C14 C15 C16 . . 113.2(14) ?
C14 C15 H15A . . 108.9 ?
C16 C15 H15A . . 108.9 ?
C14 C15 H15B . . 108.9 ?
C16 C15 H15B . . 108.9 ?
H15A C15 H15B . . 107.8 ?
C15 C16 C17 . . 113.1(15) ?
C15 C16 H16A . . 109.0 ?
C17 C16 H16A . . 109.0 ?
C15 C16 H16B . . 109.0 ?
C17 C16 H16B . . 109.0 ?
H16A C16 H16B . . 107.8 ?
C16 C17 C18 . . 112.2(15) ?
C16 C17 H17A . . 109.2 ?
C18 C17 H17A . . 109.2 ?
C16 C17 H17B . . 109.2 ?
C18 C17 H17B . . 109.2 ?
H17A C17 H17B . . 107.9 ?
C17 C18 C19 . . 110.8(15) ?
C17 C18 H18A . . 109.5 ?
C19 C18 H18A . . 109.5 ?
C17 C18 H18B . . 109.5 ?
C19 C18 H18B . . 109.5 ?
H18A C18 H18B . . 108.1 ?
C20 C19 C18 . . 109.1(15) ?
C20 C19 H19A . . 109.9 ?
C18 C19 H19A . . 109.9 ?
C20 C19 H19B . . 109.9 ?
C18 C19 H19B . . 109.9 ?
H19A C19 H19B . . 108.3 ?
C21 C20 C19 . . 111.9(15) ?
C21 C20 H20A . . 109.2 ?
C19 C20 H20A . . 109.2 ?
C21 C20 H20B . . 109.2 ?
C19 C20 H20B . . 109.2 ?
H20A C20 H20B . . 107.9 ?
C22 C21 C20 . . 114.2(15) ?
C22 C21 H21A . . 108.7 ?
C20 C21 H21A . . 108.7 ?
C22 C21 H21B . . 108.7 ?
C20 C21 H21B . . 108.7 ?
H21A C21 H21B . . 107.6 ?
C23 C22 C21 . . 114.0(15) ?
C23 C22 H22A . . 108.8 ?
C21 C22 H22A . . 108.8 ?
C23 C22 H22B . . 108.8 ?
C21 C22 H22B . . 108.8 ?
H22A C22 H22B . . 107.7 ?
C22 C23 C24 . . 114.2(16) ?
C22 C23 H23A . . 108.7 ?
C24 C23 H23A . . 108.7 ?
C22 C23 H23B . . 108.7 ?
C24 C23 H23B . . 108.7 ?
H23A C23 H23B . . 107.6 ?
C23 C24 H24A . . 109.5 ?
C23 C24 H24B . . 109.5 ?
H24A C24 H24B . . 109.5 ?
C23 C24 H24C . . 109.5 ?
H24A C24 H24C . . 109.5 ?
H24B C24 H24C . . 109.5 ?
C26 C25 C29 . . 108.0 ?
C26 C25 Ru2 . . 71.1(9) ?
C29 C25 Ru2 . . 70.1(9) ?
C26 C25 H25 . . 126.0 ?
C29 C25 H25 . . 126.0 ?
Ru2 C25 H25 . . 124.4 ?
C25 C26 C27 . . 108.0 ?
C25 C26 Ru2 . . 70.7(9) ?
C27 C26 Ru2 . . 70.3(9) ?
C25 C26 H26 . . 126.0 ?
C27 C26 H26 . . 126.0 ?
Ru2 C26 H26 . . 124.6 ?
C28 C27 C26 . . 108.0 ?
C28 C27 Ru2 . . 70.2(9) ?
C26 C27 Ru2 . . 71.4(9) ?
C28 C27 H27 . . 126.0 ?
C26 C27 H27 . . 126.0 ?
Ru2 C27 H27 . . 124.1 ?
C29 C28 C27 . . 108.0 ?
C29 C28 Ru2 . . 70.9(9) ?
C27 C28 Ru2 . . 71.3(9) ?
C29 C28 H28 . . 126.0 ?
C27 C28 H28 . . 126.0 ?
Ru2 C28 H28 . . 123.5 ?
C28 C29 C25 . . 108.0 ?
C28 C29 Ru2 . . 70.5(9) ?
C25 C29 Ru2 . . 71.4(9) ?
C28 C29 H29 . . 126.0 ?
C25 C29 H29 . . 126.0 ?
Ru2 C29 H29 . . 123.7 ?
C26' C25' C29' . . 108.0 ?
C26' C25' Ru2 . . 71.3(6) ?
C29' C25' Ru2 . . 71.0(6) ?
C26' C25' H25' . . 126.0 ?
C29' C25' H25' . . 126.0 ?
Ru2 C25' H25' . . 123.4 ?
C25' C26' C27' . . 108.0 ?
C25' C26' Ru2 . . 71.1(6) ?
C27' C26' Ru2 . . 71.0(6) ?
C25' C26' H26' . . 126.0 ?
C27' C26' H26' . . 126.0 ?
Ru2 C26' H26' . . 123.4 ?
C26' C27' C28' . . 108.0 ?
C26' C27' Ru2 . . 71.3(6) ?
C28' C27' Ru2 . . 71.0(6) ?
C26' C27' H27' . . 126.0 ?
C28' C27' H27' . . 126.0 ?
Ru2 C27' H27' . . 123.3 ?
C27' C28' C29' . . 108.0 ?
C27' C28' Ru2 . . 71.3(6) ?
C29' C28' Ru2 . . 71.2(6) ?
C27' C28' H28' . . 126.0 ?
C29' C28' H28' . . 126.0 ?
Ru2 C28' H28' . . 123.1 ?
C25' C29' C28' . . 108.0 ?
C25' C29' Ru2 . . 71.4(6) ?
C28' C29' Ru2 . . 71.1(6) ?
C25' C29' H29' . . 126.0 ?
C28' C29' H29' . . 126.0 ?
Ru2 C29' H29' . . 123.2 ?
C35 C30 N3 . . 123.3(14) ?
C35 C30 C31 . . 120.1(13) ?
N3 C30 C31 . . 116.5(13) ?
C35 C30 Ru2 . . 70.1(8) ?
N3 C30 Ru2 . . 129.7(9) ?
C31 C30 Ru2 . . 70.2(8) ?
C32 C31 C30 . . 122.1(14) ?
C32 C31 Ru2 . . 71.3(8) ?
C30 C31 Ru2 . . 73.3(8) ?
C32 C31 H31 . . 119.0 ?
C30 C31 H31 . . 119.0 ?
Ru2 C31 H31 . . 128.9 ?
C31 C32 C33 . . 118.9(14) ?
C31 C32 Ru2 . . 72.2(8) ?
C33 C32 Ru2 . . 70.5(8) ?
C31 C32 H32 . . 120.5 ?
C33 C32 H32 . . 120.5 ?
Ru2 C32 H32 . . 129.1 ?
C32 C33 C34 . . 120.5(13) ?
C32 C33 Ru2 . . 71.7(8) ?
C34 C33 Ru2 . . 71.3(7) ?
C32 C33 H33 . . 119.7 ?
C34 C33 H33 . . 119.7 ?
Ru2 C33 H33 . . 129.8 ?
C33 C34 C35 . . 117.6(13) ?
C33 C34 Ru2 . . 70.5(7) ?
C35 C34 Ru2 . . 71.1(7) ?
C33 C34 H34 . . 121.2 ?
C35 C34 H34 . . 121.2 ?
Ru2 C34 H34 . . 129.4 ?
C30 C35 C34 . . 120.7(14) ?
C30 C35 Ru2 . . 73.8(8) ?
C34 C35 Ru2 . . 70.5(7) ?
C30 C35 H35 . . 119.7 ?
C34 C35 H35 . . 119.7 ?
Ru2 C35 H35 . . 128.2 ?
O2 C36 N4 . . 121.6(14) ?
O2 C36 N3 . . 125.3(15) ?
N4 C36 N3 . . 113.0(14) ?
N4 C37 C38 . . 110.5(15) ?
N4 C37 H37A . . 109.6 ?
C38 C37 H37A . . 109.6 ?
N4 C37 H37B . . 109.6 ?
C38 C37 H37B . . 109.6 ?
H37A C37 H37B . . 108.1 ?
C39 C38 C37 . . 114.5(13) ?
C39 C38 H38A . . 108.6 ?
C37 C38 H38A . . 108.6 ?
C39 C38 H38B . . 108.6 ?
C37 C38 H38B . . 108.6 ?
H38A C38 H38B . . 107.6 ?
C38 C39 C40 . . 116.6(16) ?
C38 C39 H39A . . 108.1 ?
C40 C39 H39A . . 108.1 ?
C38 C39 H39B . . 108.1 ?
C40 C39 H39B . . 108.1 ?
H39A C39 H39B . . 107.3 ?
C39 C40 C41 . . 114.2(15) ?
C39 C40 H40A . . 108.7 ?
C41 C40 H40A . . 108.7 ?
C39 C40 H40B . . 108.7 ?
C41 C40 H40B . . 108.7 ?
H40A C40 H40B . . 107.6 ?
C40 C41 C42 . . 114.3(15) ?
C40 C41 H41A . . 108.7 ?
C42 C41 H41A . . 108.7 ?
C40 C41 H41B . . 108.7 ?
C42 C41 H41B . . 108.7 ?
H41A C41 H41B . . 107.6 ?
C43 C42 C41 . . 115.3(16) ?
C43 C42 H42A . . 108.4 ?
C41 C42 H42A . . 108.4 ?
C43 C42 H42B . . 108.4 ?
C41 C42 H42B . . 108.4 ?
H42A C42 H42B . . 107.5 ?
C42 C43 C44 . . 114.9(16) ?
C42 C43 H43A . . 108.6 ?
C44 C43 H43A . . 108.6 ?
C42 C43 H43B . . 108.6 ?
C44 C43 H43B . . 108.6 ?
H43A C43 H43B . . 107.5 ?
C45 C44 C43 . . 112.4(16) ?
C45 C44 H44A . . 109.1 ?
C43 C44 H44A . . 109.1 ?
C45 C44 H44B . . 109.1 ?
C43 C44 H44B . . 109.1 ?
H44A C44 H44B . . 107.9 ?
C44 C45 C46 . . 113.1(16) ?
C44 C45 H45A . . 109.0 ?
C46 C45 H45A . . 109.0 ?
C44 C45 H45B . . 109.0 ?
C46 C45 H45B . . 109.0 ?
H45A C45 H45B . . 107.8 ?
C47 C46 C45 . . 112.6(16) ?
C47 C46 H46A . . 109.1 ?
C45 C46 H46A . . 109.1 ?
C47 C46 H46B . . 109.1 ?
C45 C46 H46B . . 109.1 ?
H46A C46 H46B . . 107.8 ?
C46 C47 C48 . . 113.9(17) ?
C46 C47 H47A . . 108.8 ?
C48 C47 H47A . . 108.8 ?
C46 C47 H47B . . 108.8 ?
C48 C47 H47B . . 108.8 ?
H47A C47 H47B . . 107.7 ?
C47 C48 H48A . . 109.5 ?
C47 C48 H48B . . 109.5 ?
H48A C48 H48B . . 109.5 ?
C47 C48 H48C . . 109.5 ?
H48A C48 H48C . . 109.5 ?
H48B C48 H48C . . 109.5 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Ru1 C10 . 2.146(14) ?
Ru1 C1 . 2.148(14) ?
Ru1 C3 . 2.149(16) ?
Ru1 C8 . 2.177(16) ?
Ru1 C2 . 2.180(14) ?
Ru1 C9 . 2.181(14) ?
Ru1 C5 . 2.187(14) ?
Ru1 C4 . 2.188(15) ?
Ru1 C11 . 2.195(15) ?
Ru1 C7 . 2.229(13) ?
Ru1 C6 . 2.263(13) ?
P1 F1 . 1.579(8) ?
P1 F3 . 1.587(9) ?
P1 F5 . 1.588(9) ?
P1 F4 . 1.594(10) ?
P1 F2 . 1.594(10) ?
P1 F6 . 1.603(8) ?
P2 F8 . 1.593(11) ?
P2 F11 . 1.594(11) ?
P2 F12 . 1.595(11) ?
P2 F7 . 1.598(11) ?
P2 F9 . 1.609(11) ?
P2 F10 . 1.610(11) ?
Ru2 C28 . 2.14(2) ?
Ru2 C29 . 2.15(2) ?
Ru2 C27 . 2.16(2) ?
Ru2 C25 . 2.16(2) ?
Ru2 C26 . 2.17(2) ?
Ru2 C33 . 2.192(13) ?
Ru2 C28' . 2.197(15) ?
Ru2 C29' . 2.198(16) ?
Ru2 C27' . 2.201(15) ?
Ru2 C34 . 2.203(12) ?
Ru2 C25' . 2.203(17) ?
Ru2 C26' . 2.205(16) ?
O1 C12 . 1.214(18) ?
O2 C36 . 1.204(19) ?
N1 C12 . 1.381(18) ?
N1 C6 . 1.410(17) ?
N1 H1 . 0.88 ?
N2 C12 . 1.347(17) ?
N2 C13 . 1.47(2) ?
N2 H2X . 0.88 ?
N3 C36 . 1.38(2) ?
N3 C30 . 1.392(18) ?
N3 H3 . 0.88 ?
N4 C36 . 1.35(2) ?
N4 C37 . 1.47(2) ?
N4 H4X . 0.88 ?
C1 C5 . 1.41(2) ?
C1 C2 . 1.42(2) ?
C1 H1A . 0.95 ?
C2 C3 . 1.38(2) ?
C2 H2 . 0.95 ?
C3 C4 . 1.43(2) ?
C3 H3A . 0.95 ?
C4 C5 . 1.44(2) ?
C4 H4 . 0.95 ?
C5 H5 . 0.95 ?
C6 C11 . 1.39(2) ?
C6 C7 . 1.47(2) ?
C7 C8 . 1.40(2) ?
C7 H7 . 0.95 ?
C8 C9 . 1.31(2) ?
C8 H8 . 0.95 ?
C9 C10 . 1.39(2) ?
C9 H9 . 0.95 ?
C10 C11 . 1.39(2) ?
C10 H10 . 0.95 ?
C11 H11 . 0.95 ?
C13 C14 . 1.54(2) ?
C13 H13A . 0.99 ?
C13 H13B . 0.99 ?
C14 C15 . 1.52(2) ?
C14 H14A . 0.99 ?
C14 H14B . 0.99 ?
C15 C16 . 1.52(2) ?
C15 H15A . 0.99 ?
C15 H15B . 0.99 ?
C16 C17 . 1.53(2) ?
C16 H16A . 0.99 ?
C16 H16B . 0.99 ?
C17 C18 . 1.53(2) ?
C17 H17A . 0.99 ?
C17 H17B . 0.99 ?
C18 C19 . 1.56(2) ?
C18 H18A . 0.99 ?
C18 H18B . 0.99 ?
C19 C20 . 1.56(2) ?
C19 H19A . 0.99 ?
C19 H19B . 0.99 ?
C20 C21 . 1.54(2) ?
C20 H20A . 0.99 ?
C20 H20B . 0.99 ?
C21 C22 . 1.51(2) ?
C21 H21A . 0.99 ?
C21 H21B . 0.99 ?
C22 C23 . 1.51(2) ?
C22 H22A . 0.99 ?
C22 H22B . 0.99 ?
C23 C24 . 1.53(2) ?
C23 H23A . 0.99 ?
C23 H23B . 0.99 ?
C24 H24A . 0.98 ?
C24 H24B . 0.98 ?
C24 H24C . 0.98 ?
C25 C26 . 1.42 ?
C25 C29 . 1.42 ?
C25 H25 . 0.95 ?
C26 C27 . 1.42 ?
C26 H26 . 0.95 ?
C27 C28 . 1.42 ?
C27 H27 . 0.95 ?
C28 C29 . 1.42 ?
C28 H28 . 0.95 ?
C29 H29 . 0.95 ?
C25' C26' . 1.42 ?
C25' C29' . 1.42 ?
C25' H25' . 0.95 ?
C26' C27' . 1.42 ?
C26' H26' . 0.95 ?
C27' C28' . 1.42 ?
C27' H27' . 0.95 ?
C28' C29' . 1.42 ?
C28' H28' . 0.95 ?
C29' H29' . 0.95 ?
C30 C35 . 1.39(2) ?
C30 C31 . 1.40(2) ?
C31 C32 . 1.39(2) ?
C31 H31 . 0.95 ?
C32 C33 . 1.43(2) ?
C32 H32 . 0.95 ?
C33 C34 . 1.44(2) ?
C33 H33 . 0.95 ?
C34 C35 . 1.449(19) ?
C34 H34 . 0.95 ?
C35 H35 . 0.95 ?
C37 C38 . 1.51(2) ?
C37 H37A . 0.99 ?
C37 H37B . 0.99 ?
C38 C39 . 1.50(2) ?
C38 H38A . 0.99 ?
C38 H38B . 0.99 ?
C39 C40 . 1.50(2) ?
C39 H39A . 0.99 ?
C39 H39B . 0.99 ?
C40 C41 . 1.52(2) ?
C40 H40A . 0.99 ?
C40 H40B . 0.99 ?
C41 C42 . 1.53(2) ?
C41 H41A . 0.99 ?
C41 H41B . 0.99 ?
C42 C43 . 1.51(2) ?
C42 H42A . 0.99 ?
C42 H42B . 0.99 ?
C43 C44 . 1.53(2) ?
C43 H43A . 0.99 ?
C43 H43B . 0.99 ?
C44 C45 . 1.52(2) ?
C44 H44A . 0.99 ?
C44 H44B . 0.99 ?
C45 C46 . 1.54(2) ?
C45 H45A . 0.99 ?
C45 H45B . 0.99 ?
C46 C47 . 1.50(2) ?
C46 H46A . 0.99 ?
C46 H46B . 0.99 ?
C47 C48 . 1.52(2) ?
C47 H47A . 0.99 ?
C47 H47B . 0.99 ?
C48 H48A . 0.98 ?
C48 H48B . 0.98 ?
C48 H48C . 0.98 ?
