# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2019

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_jml1702
_database_code_depnum_ccdc_archive 'CCDC 1952189'
loop_
_audit_author_name
_audit_author_address
'Adrian C. Whitwood'
;University of York
United Kingdom
;
_audit_update_record             
;
2019-09-08 deposited with the CCDC.	2019-11-08 downloaded from the CCDC.
;
_audit_creation_date             2017-02-09
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.01.04 svn.r3372 for OlexSys, GUI svn.r5292)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C39 H34 F3 P2 Ru, F6 P'
_chemical_formula_sum            'C39 H34 F9 P3 Ru'
_chemical_formula_weight         867.64
_chemical_absolute_configuration ad
_chemical_melting_point          ?
_chemical_oxdiff_formula         C39H34F9P3Ru
_chemical_oxdiff_usercomment     'Lewis Hall lmh-3-200'
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'
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'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           9
_space_group_name_H-M_alt        'C 1 c 1'
_space_group_name_Hall           'C -2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'x, -y, z+1/2'
'x+1/2, y+1/2, z'
'x+1/2, -y+1/2, z+1/2'

_cell_length_a                   20.7451(2)
_cell_length_b                   9.98170(10)
_cell_length_c                   17.2999(2)
_cell_angle_alpha                90
_cell_angle_beta                 97.2290(10)
_cell_angle_gamma                90
_cell_volume                     3553.84(6)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    15496
_cell_measurement_temperature    110.00(10)
_cell_measurement_theta_max      31.8780
_cell_measurement_theta_min      3.9590
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.653
_exptl_absorpt_correction_T_max  0.944
_exptl_absorpt_correction_T_min  0.898
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.43d (Rigaku Oxford Diffraction, 2015)
Analytical numeric absorption correction using a multifaceted crystal
			model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.622
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1752
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
1 0 0 0.0538
0 -1 5 0.1073
-1 1 -5 0.1143
-5 0 1 0.0537
-1 4 5 0.0456
1 -5 -5 0.0977
1 1 -5 0.1136
-1 2 5 0.0452
0 -5 -1 0.0969
-1 0 5 0.0781
1 2 -5 0.1162
-5 2 4 0.0408
5 -1 -1 0.0748
5 1 1 0.0554
-5 -1 0 0.0604
5 1 -2 0.0950
4 -5 0 0.1018
4 1 5 0.0702
4 1 -5 0.1056
-5 -1 -2 0.0560

_exptl_crystal_recrystallization_method DCM:Et2O
_exptl_crystal_size_max          0.255
_exptl_crystal_size_mid          0.163
_exptl_crystal_size_min          0.115
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
1.0000 -0.0000 -0.0000 -0.0219 -0.0264 -0.0033
0.0003 -1.0000 5.0000 -0.0400 -0.0274 0.2132
-1.0003 1.0000 -5.0000 0.0620 0.0537 -0.2099
-4.9999 0.0000 1.0000 0.1124 0.1180 0.0553
-0.9995 4.0000 5.0000 0.2509 -0.2125 0.1214
0.9995 -5.0000 -5.0000 -0.3047 0.2549 -0.1023
0.9997 1.0000 -5.0000 0.0181 0.0010 -0.2165
-0.9996 2.0000 5.0000 0.1433 -0.1279 0.1594
-0.0002 -5.0000 -1.0000 -0.2717 0.2255 0.0563
-0.9997 -0.0000 5.0000 0.0357 -0.0433 0.1974
0.9997 2.0000 -5.0000 0.0719 -0.0413 -0.2355
-4.9996 2.0000 4.0000 0.2282 -0.0085 0.1337
4.9998 -1.0000 -1.0000 -0.1662 -0.0757 -0.0363
5.0000 1.0000 1.0000 -0.0531 -0.1882 0.0033
-5.0000 -1.0000 0.0000 0.0558 0.1742 0.0355
4.9998 1.0000 -2.0000 -0.0613 -0.1463 -0.1131
3.9998 -5.0000 -0.0000 -0.3567 0.1060 0.0820
4.0003 1.0000 5.0000 -0.0201 -0.2175 0.1620
3.9997 1.0000 -5.0000 -0.0477 -0.0782 -0.2263
-5.0001 -1.0000 -1.9999 0.0503 0.2021 -0.0422

_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0191
_diffrn_reflns_av_unetI/netI     0.0269
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            20324
_diffrn_reflns_point_group_measured_fraction_full 0.966
_diffrn_reflns_point_group_measured_fraction_max 0.955
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.031
_diffrn_reflns_theta_min         3.372
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      110.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.1450
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω      5.00  94.00   1.00   32.50    --   25.70  57.00  90.00   89
  2  ω    -47.00  70.00   1.00   32.50    --   25.70 -19.00 -90.00  117
  3  ω    -43.00  47.00   1.00   32.50    --   25.70 -57.00-120.00   90
  4  ω    -82.00 -22.00   1.00   32.50    --  -25.86 123.00 -89.00   60
  5  ω    -18.00  99.00   1.00   32.50    --   25.70  19.00   0.00  117
  6  ω     -4.00  21.00   1.00   32.50    --   25.70  77.00-150.00   25
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0219274000
_diffrn_orient_matrix_UB_12      0.0537959000
_diffrn_orient_matrix_UB_13      0.0027543000
_diffrn_orient_matrix_UB_21      -0.0263817000
_diffrn_orient_matrix_UB_22      -0.0423108000
_diffrn_orient_matrix_UB_23      -0.0139335000
_diffrn_orient_matrix_UB_31      -0.0032920000
_diffrn_orient_matrix_UB_32      -0.0190236000
_diffrn_orient_matrix_UB_33      0.0388312000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Mo) X-ray Source'
_reflns_Friedel_coverage         0.912
_reflns_Friedel_fraction_full    0.935
_reflns_Friedel_fraction_max     0.912
_reflns_number_gt                9740
_reflns_number_total             9932
_reflns_odcompleteness_completeness 99.80
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     29.97
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.38.43d (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.43d (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.43d (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.250
_refine_diff_density_min         -0.261
_refine_diff_density_rms         0.044
_refine_ls_abs_structure_details 
;
 Flack x determined using 4526 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.028(8)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     469
_refine_ls_number_reflns         9932
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.0198
_refine_ls_R_factor_gt           0.0191
_refine_ls_restrained_S_all      1.033
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0215P)²+1.0066P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0451
_refine_ls_wR_factor_ref         0.0455
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C26(H26A,H26B), C27(H27A,H27B)
2.b Aromatic/amide H refined with riding coordinates:
 C4(H4), C5(H5), C6(H6), C7(H7), C8(H8), C9(H9), C10(H10), C11(H11), C12(H12),
 C13(H13), C15(H15), C16(H16), C17(H17), C18(H18), C19(H19), C21(H21), C22(H22),
  C23(H23), C24(H24), C25(H25), C29(H29), C30(H30), C31(H31), C32(H32),
 C33(H33), C35(H35), C36(H36), C37(H37), C38(H38), C39(H39)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.50432(11) 0.6070(2) 0.55742(12) 0.0136(4) Uani 1 1 d . . . . .
C2 C 0.47295(11) 0.4730(2) 0.57620(12) 0.0157(4) Uani 1 1 d . . . . .
C3 C 0.40857(11) 0.4889(2) 0.60605(12) 0.0144(4) Uani 1 1 d . . . . .
C4 C 0.35282(12) 0.5119(2) 0.55371(13) 0.0198(4) Uani 1 1 d . . . . .
H4 H 0.3558 0.5195 0.5007 0.024 Uiso 1 1 calc R . . . .
C5 C 0.29325(12) 0.5235(3) 0.58094(14) 0.0228(5) Uani 1 1 d . . . . .
H5 H 0.2561 0.5397 0.5463 0.027 Uiso 1 1 calc R . . . .
C6 C 0.28884(12) 0.5110(2) 0.65995(13) 0.0205(4) Uani 1 1 d . . . . .
H6 H 0.2485 0.5164 0.6779 0.025 Uiso 1 1 calc R . . . .
C7 C 0.34442(12) 0.4906(2) 0.71229(13) 0.0220(5) Uani 1 1 d . . . . .
H7 H 0.3413 0.4831 0.7653 0.026 Uiso 1 1 calc R . . . .
C8 C 0.40455(11) 0.4813(2) 0.68552(12) 0.0186(4) Uani 1 1 d . . . . .
H8 H 0.4420 0.4701 0.7206 0.022 Uiso 1 1 calc R . . . .
C9 C 0.51904(12) 0.5035(2) 0.37917(12) 0.0188(4) Uani 1 1 d . . . . .
H9 H 0.5307 0.4167 0.3945 0.023 Uiso 1 1 calc R . . . .
C10 C 0.56040(12) 0.6016(3) 0.35074(13) 0.0201(5) Uani 1 1 d . . . . .
H10 H 0.6038 0.5894 0.3443 0.024 Uiso 1 1 calc R . . . .
C11 C 0.52411(12) 0.7198(2) 0.33414(12) 0.0194(4) Uani 1 1 d . . . . .
H11 H 0.5393 0.7988 0.3142 0.023 Uiso 1 1 calc R . . . .
C12 C 0.46017(12) 0.6971(2) 0.35320(13) 0.0184(4) Uani 1 1 d . . . . .
H12 H 0.4264 0.7591 0.3490 0.022 Uiso 1 1 calc R . . . .
C13 C 0.45727(12) 0.5624(2) 0.37984(12) 0.0178(4) Uani 1 1 d . . . . .
H13 H 0.4209 0.5204 0.3951 0.021 Uiso 1 1 calc R . . . .
C14 C 0.46139(11) 0.9475(2) 0.56516(12) 0.0144(4) Uani 1 1 d . . . . .
C15 C 0.46686(12) 1.0706(2) 0.60467(13) 0.0200(4) Uani 1 1 d . . . . .
H15 H 0.5029 1.1250 0.6019 0.024 Uiso 1 1 calc R . . . .
C16 C 0.41817(13) 1.1107(2) 0.64799(14) 0.0239(5) Uani 1 1 d . . . . .
H16 H 0.4219 1.1920 0.6744 0.029 Uiso 1 1 calc R . . . .
C17 C 0.36461(13) 1.0316(3) 0.65220(14) 0.0242(5) Uani 1 1 d . . . . .
H17 H 0.3326 1.0590 0.6818 0.029 Uiso 1 1 calc R . . . .
C18 C 0.35819(12) 0.9109(3) 0.61232(13) 0.0217(5) Uani 1 1 d . . . . .
H18 H 0.3216 0.8580 0.6146 0.026 Uiso 1 1 calc R . . . .
C19 C 0.40651(11) 0.8688(2) 0.56895(13) 0.0181(4) Uani 1 1 d . . . . .
H19 H 0.4021 0.7877 0.5423 0.022 Uiso 1 1 calc R . . . .
C20 C 0.50632(11) 1.0148(2) 0.42196(12) 0.0160(4) Uani 1 1 d . . . . .
C21 C 0.44166(11) 1.0281(2) 0.38801(13) 0.0184(4) Uani 1 1 d . . . . .
H21 H 0.4088 0.9844 0.4100 0.022 Uiso 1 1 calc R . . . .
C22 C 0.42640(13) 1.1061(2) 0.32175(13) 0.0230(5) Uani 1 1 d . . . . .
H22 H 0.3834 1.1141 0.2995 0.028 Uiso 1 1 calc R . . . .
C23 C 0.47507(15) 1.1720(2) 0.28850(14) 0.0261(5) Uani 1 1 d . . . . .
H23 H 0.4648 1.2237 0.2439 0.031 Uiso 1 1 calc R . . . .
C24 C 0.53915(14) 1.1603(2) 0.32227(15) 0.0241(5) Uani 1 1 d . . . . .
H24 H 0.5718 1.2050 0.3004 0.029 Uiso 1 1 calc R . . . .
C25 C 0.55496(12) 1.0823(2) 0.38865(14) 0.0203(4) Uani 1 1 d . . . . .
H25 H 0.5980 1.0751 0.4109 0.024 Uiso 1 1 calc R . . . .
C26 C 0.60146(11) 0.9506(2) 0.55662(13) 0.0171(4) Uani 1 1 d . . . . .
H26A H 0.6291 0.9861 0.5202 0.021 Uiso 1 1 calc R . . . .
H26B H 0.5947 1.0207 0.5936 0.021 Uiso 1 1 calc R . . . .
C27 C 0.63443(11) 0.8302(2) 0.59962(13) 0.0158(4) Uani 1 1 d . . . . .
H27A H 0.6122 0.8068 0.6438 0.019 Uiso 1 1 calc R . . . .
H27B H 0.6793 0.8514 0.6186 0.019 Uiso 1 1 calc R . . . .
C28 C 0.69659(11) 0.7254(2) 0.47309(13) 0.0147(4) Uani 1 1 d . . . . .
C29 C 0.75827(12) 0.6719(2) 0.49476(15) 0.0217(5) Uani 1 1 d . . . . .
H29 H 0.7651 0.6122 0.5363 0.026 Uiso 1 1 calc R . . . .
C30 C 0.80959(13) 0.7073(3) 0.45468(17) 0.0277(5) Uani 1 1 d . . . . .
H30 H 0.8507 0.6714 0.4694 0.033 Uiso 1 1 calc R . . . .
C31 C 0.79980(13) 0.7961(3) 0.39278(15) 0.0247(5) Uani 1 1 d . . . . .
H31 H 0.8342 0.8189 0.3657 0.030 Uiso 1 1 calc R . . . .
C32 C 0.73871(13) 0.8511(2) 0.37108(14) 0.0206(4) Uani 1 1 d . . . . .
H32 H 0.7324 0.9122 0.3303 0.025 Uiso 1 1 calc R . . . .
C33 C 0.68696(12) 0.8146(2) 0.41041(13) 0.0175(4) Uani 1 1 d . . . . .
H33 H 0.6458 0.8496 0.3950 0.021 Uiso 1 1 calc R . . . .
C34 C 0.65721(10) 0.5431(2) 0.58735(12) 0.0145(4) Uani 1 1 d . . . . .
C35 C 0.65667(11) 0.4198(2) 0.54905(13) 0.0189(4) Uani 1 1 d . . . . .
H35 H 0.6449 0.4154 0.4954 0.023 Uiso 1 1 calc R . . . .
C36 C 0.67366(13) 0.3043(2) 0.59080(15) 0.0231(5) Uani 1 1 d . . . . .
H36 H 0.6738 0.2225 0.5651 0.028 Uiso 1 1 calc R . . . .
C37 C 0.69054(14) 0.3102(2) 0.67092(15) 0.0243(5) Uani 1 1 d . . . . .
H37 H 0.7007 0.2319 0.6990 0.029 Uiso 1 1 calc R . . . .
C38 C 0.69234(13) 0.4320(3) 0.70919(14) 0.0230(5) Uani 1 1 d . . . . .
H38 H 0.7048 0.4358 0.7627 0.028 Uiso 1 1 calc R . . . .
C39 C 0.67551(11) 0.5488(2) 0.66786(13) 0.0187(4) Uani 1 1 d . . . . .
H39 H 0.6764 0.6306 0.6937 0.022 Uiso 1 1 calc R . . . .
F1 F 0.51684(7) 0.66501(13) 0.62954(7) 0.0175(3) Uani 1 1 d . . . . .
F2 F 0.51635(7) 0.40850(14) 0.63017(8) 0.0218(3) Uani 1 1 d . . . . .
F3 F 0.46646(7) 0.39222(13) 0.51189(8) 0.0208(3) Uani 1 1 d . . . . .
P1 P 0.52257(3) 0.89857(5) 0.50354(3) 0.01241(10) Uani 1 1 d . . . . .
P2 P 0.63100(3) 0.68975(5) 0.53071(3) 0.01198(10) Uani 1 1 d . . . . .
Ru1 Ru 0.52768(2) 0.67822(2) 0.46478(2) 0.01085(4) Uani 1 1 d . . . . .
F4 F 0.28082(9) 0.83783(17) 0.44258(10) 0.0357(4) Uani 1 1 d . . . . .
F5 F 0.28859(9) 0.84521(18) 0.31304(11) 0.0377(4) Uani 1 1 d . . . . .
F6 F 0.18977(8) 0.86354(17) 0.35616(9) 0.0314(3) Uani 1 1 d . . . . .
F7 F 0.21571(9) 0.67570(16) 0.29324(9) 0.0326(4) Uani 1 1 d . . . . .
F8 F 0.20800(8) 0.66854(16) 0.42263(9) 0.0287(3) Uani 1 1 d . . . . .
F9 F 0.30658(8) 0.64998(17) 0.37966(9) 0.0289(3) Uani 1 1 d . . . . .
P3 P 0.24845(3) 0.75769(6) 0.36807(3) 0.01789(11) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 C2 1.540(3) . ?
C1 F1 1.370(2) . ?
C1 Ru1 1.872(2) . ?
C2 C3 1.500(3) . ?
C2 F2 1.373(2) . ?
C2 F3 1.367(2) . ?
C3 C4 1.395(3) . ?
C3 C8 1.390(3) . ?
C4 H4 0.9300 . ?
C4 C5 1.382(3) . ?
C5 H5 0.9300 . ?
C5 C6 1.387(3) . ?
C6 H6 0.9300 . ?
C6 C7 1.389(3) . ?
C7 H7 0.9300 . ?
C7 C8 1.387(3) . ?
C8 H8 0.9300 . ?
C9 H9 0.9300 . ?
C9 C10 1.429(3) . ?
C9 C13 1.411(3) . ?
C9 Ru1 2.280(2) . ?
C10 H10 0.9300 . ?
C10 C11 1.410(4) . ?
C10 Ru1 2.297(2) . ?
C11 H11 0.9300 . ?
C11 C12 1.425(3) . ?
C11 Ru1 2.290(2) . ?
C12 H12 0.9300 . ?
C12 C13 1.426(3) . ?
C12 Ru1 2.246(2) . ?
C13 H13 0.9300 . ?
C13 Ru1 2.256(2) . ?
C14 C15 1.403(3) . ?
C14 C19 1.392(3) . ?
C14 P1 1.824(2) . ?
C15 H15 0.9300 . ?
C15 C16 1.390(3) . ?
C16 H16 0.9300 . ?
C16 C17 1.373(4) . ?
C17 H17 0.9300 . ?
C17 C18 1.387(4) . ?
C18 H18 0.9300 . ?
C18 C19 1.390(3) . ?
C19 H19 0.9300 . ?
C20 C21 1.401(3) . ?
C20 C25 1.397(3) . ?
C20 P1 1.825(2) . ?
C21 H21 0.9300 . ?
C21 C22 1.389(3) . ?
C22 H22 0.9300 . ?
C22 C23 1.389(4) . ?
C23 H23 0.9300 . ?
C23 C24 1.388(4) . ?
C24 H24 0.9300 . ?
C24 C25 1.392(3) . ?
C25 H25 0.9300 . ?
C26 H26A 0.9700 . ?
C26 H26B 0.9700 . ?
C26 C27 1.529(3) . ?
C26 P1 1.848(2) . ?
C27 H27A 0.9700 . ?
C27 H27B 0.9700 . ?
C27 P2 1.836(2) . ?
C28 C29 1.394(3) . ?
C28 C33 1.398(3) . ?
C28 P2 1.820(2) . ?
C29 H29 0.9300 . ?
C29 C30 1.388(4) . ?
C30 H30 0.9300 . ?
C30 C31 1.385(4) . ?
C31 H31 0.9300 . ?
C31 C32 1.389(4) . ?
C32 H32 0.9300 . ?
C32 C33 1.390(3) . ?
C33 H33 0.9300 . ?
C34 C35 1.397(3) . ?
C34 C39 1.398(3) . ?
C34 P2 1.807(2) . ?
C35 H35 0.9300 . ?
C35 C36 1.382(3) . ?
C36 H36 0.9300 . ?
C36 C37 1.388(4) . ?
C37 H37 0.9300 . ?
C37 C38 1.383(4) . ?
C38 H38 0.9300 . ?
C38 C39 1.389(3) . ?
C39 H39 0.9300 . ?
P1 Ru1 2.3057(5) . ?
P2 Ru1 2.3007(5) . ?
F4 P3 1.5920(17) . ?
F5 P3 1.6006(18) . ?
F6 P3 1.6055(17) . ?
F7 P3 1.6080(16) . ?
F8 P3 1.6083(16) . ?
F9 P3 1.6092(16) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C2 C1 Ru1 132.25(15) . . ?
F1 C1 C2 102.21(17) . . ?
F1 C1 Ru1 125.40(15) . . ?
C3 C2 C1 113.55(18) . . ?
F2 C2 C1 107.02(17) . . ?
F2 C2 C3 110.57(17) . . ?
F3 C2 C1 109.99(17) . . ?
F3 C2 C3 109.97(18) . . ?
F3 C2 F2 105.40(17) . . ?
C4 C3 C2 119.68(19) . . ?
C8 C3 C2 120.13(19) . . ?
C8 C3 C4 120.2(2) . . ?
C3 C4 H4 120.1 . . ?
C5 C4 C3 119.8(2) . . ?
C5 C4 H4 120.1 . . ?
C4 C5 H5 120.0 . . ?
C4 C5 C6 120.1(2) . . ?
C6 C5 H5 120.0 . . ?
C5 C6 H6 119.9 . . ?
C5 C6 C7 120.2(2) . . ?
C7 C6 H6 119.9 . . ?
C6 C7 H7 120.0 . . ?
C8 C7 C6 120.0(2) . . ?
C8 C7 H7 120.0 . . ?
C3 C8 H8 120.2 . . ?
C7 C8 C3 119.7(2) . . ?
C7 C8 H8 120.2 . . ?
C10 C9 H9 126.2 . . ?
C10 C9 Ru1 72.45(13) . . ?
C13 C9 H9 126.2 . . ?
C13 C9 C10 107.6(2) . . ?
C13 C9 Ru1 70.95(12) . . ?
Ru1 C9 H9 122.1 . . ?
C9 C10 H10 125.8 . . ?
C9 C10 Ru1 71.17(13) . . ?
C11 C10 C9 108.4(2) . . ?
C11 C10 H10 125.8 . . ?
C11 C10 Ru1 71.83(13) . . ?
Ru1 C10 H10 122.8 . . ?
C10 C11 H11 126.0 . . ?
C10 C11 C12 108.0(2) . . ?
C10 C11 Ru1 72.36(13) . . ?
C12 C11 H11 126.0 . . ?
C12 C11 Ru1 70.01(12) . . ?
Ru1 C11 H11 123.3 . . ?
C11 C12 H12 126.2 . . ?
C11 C12 C13 107.6(2) . . ?
C11 C12 Ru1 73.39(12) . . ?
C13 C12 H12 126.2 . . ?
C13 C12 Ru1 71.93(12) . . ?
Ru1 C12 H12 120.3 . . ?
C9 C13 C12 108.4(2) . . ?
C9 C13 H13 125.8 . . ?
C9 C13 Ru1 72.81(12) . . ?
C12 C13 H13 125.8 . . ?
C12 C13 Ru1 71.15(12) . . ?
Ru1 C13 H13 121.9 . . ?
C15 C14 P1 119.97(17) . . ?
C19 C14 C15 119.2(2) . . ?
C19 C14 P1 120.67(16) . . ?
C14 C15 H15 120.2 . . ?
C16 C15 C14 119.7(2) . . ?
C16 C15 H15 120.2 . . ?
C15 C16 H16 119.6 . . ?
C17 C16 C15 120.7(2) . . ?
C17 C16 H16 119.6 . . ?
C16 C17 H17 120.0 . . ?
C16 C17 C18 120.1(2) . . ?
C18 C17 H17 120.0 . . ?
C17 C18 H18 120.0 . . ?
C17 C18 C19 120.0(2) . . ?
C19 C18 H18 120.0 . . ?
C14 C19 H19 119.8 . . ?
C18 C19 C14 120.3(2) . . ?
C18 C19 H19 119.8 . . ?
C21 C20 P1 117.26(17) . . ?
C25 C20 C21 119.0(2) . . ?
C25 C20 P1 123.57(17) . . ?
C20 C21 H21 119.8 . . ?
C22 C21 C20 120.4(2) . . ?
C22 C21 H21 119.8 . . ?
C21 C22 H22 119.8 . . ?
C21 C22 C23 120.4(2) . . ?
C23 C22 H22 119.8 . . ?
C22 C23 H23 120.2 . . ?
C24 C23 C22 119.6(2) . . ?
C24 C23 H23 120.2 . . ?
C23 C24 H24 119.7 . . ?
C23 C24 C25 120.5(2) . . ?
C25 C24 H24 119.7 . . ?
C20 C25 H25 119.9 . . ?
C24 C25 C20 120.2(2) . . ?
C24 C25 H25 119.9 . . ?
H26A C26 H26B 108.2 . . ?
C27 C26 H26A 109.8 . . ?
C27 C26 H26B 109.8 . . ?
C27 C26 P1 109.55(15) . . ?
P1 C26 H26A 109.8 . . ?
P1 C26 H26B 109.8 . . ?
C26 C27 H27A 110.1 . . ?
C26 C27 H27B 110.1 . . ?
C26 C27 P2 107.82(14) . . ?
H27A C27 H27B 108.5 . . ?
P2 C27 H27A 110.1 . . ?
P2 C27 H27B 110.1 . . ?
C29 C28 C33 119.3(2) . . ?
C29 C28 P2 120.14(17) . . ?
C33 C28 P2 120.37(17) . . ?
C28 C29 H29 119.9 . . ?
C30 C29 C28 120.3(2) . . ?
C30 C29 H29 119.9 . . ?
C29 C30 H30 119.9 . . ?
C31 C30 C29 120.2(2) . . ?
C31 C30 H30 119.9 . . ?
C30 C31 H31 119.9 . . ?
C30 C31 C32 120.1(2) . . ?
C32 C31 H31 119.9 . . ?
C31 C32 H32 120.0 . . ?
C31 C32 C33 119.9(2) . . ?
C33 C32 H32 120.0 . . ?
C28 C33 H33 119.9 . . ?
C32 C33 C28 120.2(2) . . ?
C32 C33 H33 119.9 . . ?
C35 C34 C39 119.6(2) . . ?
C35 C34 P2 118.20(16) . . ?
C39 C34 P2 122.18(16) . . ?
C34 C35 H35 120.0 . . ?
C36 C35 C34 120.0(2) . . ?
C36 C35 H35 120.0 . . ?
C35 C36 H36 119.9 . . ?
C35 C36 C37 120.2(2) . . ?
C37 C36 H36 119.9 . . ?
C36 C37 H37 119.9 . . ?
C38 C37 C36 120.2(2) . . ?
C38 C37 H37 119.9 . . ?
C37 C38 H38 119.9 . . ?
C37 C38 C39 120.1(2) . . ?
C39 C38 H38 119.9 . . ?
C34 C39 H39 120.1 . . ?
C38 C39 C34 119.8(2) . . ?
C38 C39 H39 120.1 . . ?
C14 P1 C20 101.97(10) . . ?
C14 P1 C26 105.80(10) . . ?
C14 P1 Ru1 119.10(7) . . ?
C20 P1 C26 105.74(11) . . ?
C20 P1 Ru1 113.09(7) . . ?
C26 P1 Ru1 110.03(7) . . ?
C27 P2 Ru1 108.53(7) . . ?
C28 P2 C27 103.65(10) . . ?
C28 P2 Ru1 116.89(7) . . ?
C34 P2 C27 106.39(10) . . ?
C34 P2 C28 105.11(10) . . ?
C34 P2 Ru1 115.23(7) . . ?
C1 Ru1 C9 104.96(9) . . ?
C1 Ru1 C10 138.18(8) . . ?
C1 Ru1 C11 159.09(9) . . ?
C1 Ru1 C12 124.55(9) . . ?
C1 Ru1 C13 98.45(9) . . ?
C1 Ru1 P1 94.98(7) . . ?
C1 Ru1 P2 85.41(7) . . ?
C9 Ru1 C10 36.38(9) . . ?
C9 Ru1 C11 60.49(8) . . ?
C9 Ru1 P1 156.29(6) . . ?
C9 Ru1 P2 110.64(6) . . ?
C10 Ru1 P1 126.65(7) . . ?
C10 Ru1 P2 94.87(6) . . ?
C11 Ru1 C10 35.81(9) . . ?
C11 Ru1 P1 96.72(6) . . ?
C11 Ru1 P2 113.12(6) . . ?
C12 Ru1 C9 61.08(8) . . ?
C12 Ru1 C10 60.62(9) . . ?
C12 Ru1 C11 36.60(9) . . ?
C12 Ru1 C13 36.92(8) . . ?
C12 Ru1 P1 97.08(6) . . ?
C12 Ru1 P2 149.69(7) . . ?
C13 Ru1 C9 36.24(8) . . ?
C13 Ru1 C10 60.45(9) . . ?
C13 Ru1 C11 60.80(8) . . ?
C13 Ru1 P1 128.95(6) . . ?
C13 Ru1 P2 146.62(6) . . ?
P2 Ru1 P1 83.233(19) . . ?
F4 P3 F5 90.53(11) . . ?
F4 P3 F6 90.51(9) . . ?
F4 P3 F7 179.54(11) . . ?
F4 P3 F8 90.05(9) . . ?
F4 P3 F9 90.10(9) . . ?
F5 P3 F6 90.41(10) . . ?
F5 P3 F7 89.86(10) . . ?
F5 P3 F8 179.38(11) . . ?
F5 P3 F9 90.06(9) . . ?
F6 P3 F7 89.71(9) . . ?
F6 P3 F8 89.78(9) . . ?
F6 P3 F9 179.22(10) . . ?
F7 P3 F8 89.55(9) . . ?
F7 P3 F9 89.67(9) . . ?
F8 P3 F9 89.74(9) . . ?

_olex2_date_sample_data_collection 2017-02-07
_olex2_date_sample_submission    2017-01-31
_olex2_exptl_crystal_mounting_method 'oil on micromount'
_olex2_submission_original_sample_id lmh-3-200
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.598
_oxdiff_exptl_absorpt_empirical_full_min 0.853
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_jml1715
_database_code_depnum_ccdc_archive 'CCDC 1952190'
loop_
_audit_author_name
_audit_author_address
'Adrian C. Whitwood'
;University of York
United Kingdom
;
_audit_update_record             
;
2019-09-08 deposited with the CCDC.	2019-11-08 downloaded from the CCDC.
;
_audit_creation_date             2017-07-27
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.07.20 svn.r3457 for OlexSys, GUI svn.r5370)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C39 H34.25 F1.25 P2 Ru, F5.27 P0.27 Si0.73'
_chemical_formula_sum            'C39 H34.25 F6.53 P2.28 Ru Si0.73'
_chemical_formula_weight         818.78
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C39 H34.25 F6.525 P2.275 Ru Si0.725'
_chemical_oxdiff_usercomment     'Lewis Hall lmh-225 smaller crystals'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru 0.0552 3.2960 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2541 0.3302 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   12.4924(2)
_cell_length_b                   15.7881(2)
_cell_length_c                   17.8372(3)
_cell_angle_alpha                90
_cell_angle_beta                 97.0299(14)
_cell_angle_gamma                90
_cell_volume                     3491.59(9)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    10187
_cell_measurement_temperature    110.00(10)
_cell_measurement_theta_max      70.8870
_cell_measurement_theta_min      4.9830
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    5.414
_exptl_absorpt_correction_T_max  0.865
_exptl_absorpt_correction_T_min  0.586
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.29d (Rigaku Oxford Diffraction, 2017)
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear dark green'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    green
_exptl_crystal_density_diffrn    1.558
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       irregular
_exptl_crystal_F_000             1661
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
-3 -9 4 0.0700
7 -5 1 0.0249
3 8 -7 0.0516
-8 3 0 0.0367
7 -3 -6 0.0281
1 -8 -8 0.0192
5 3 8 0.0401
1 9 5 0.0398
-1 6 -9 0.0607
-7 -4 5 0.0689
4 -5 8 0.0570

_exptl_crystal_preparation       ?
_exptl_crystal_recrystallization_method 
'evaporation of dichloromethane/diethyl ether'
_exptl_crystal_size_max          0.157
_exptl_crystal_size_mid          0.082
_exptl_crystal_size_min          0.072
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
-3.0000 -9.0000 4.0000 -0.0832 -0.6953 -0.7122
7.0000 -4.9999 1.0000 0.0251 -0.8308 0.5758
3.0000 8.0000 -7.0000 0.3599 0.6850 0.6805
-8.0000 2.9999 0.0000 -0.0516 0.6918 -0.7717
7.0000 -2.9999 -6.0000 0.5552 -0.4885 0.6778
1.0000 -8.0000 -8.0000 0.8761 -0.5329 -0.1893
5.0000 3.0001 8.0000 -0.7642 -0.2183 0.6564
1.0000 9.0000 5.0000 -0.6598 0.5821 0.4621
-1.0000 6.0000 -9.0000 0.5939 0.7846 0.1585
-6.9978 -4.0007 5.0010 -0.2856 -0.0785 -0.9587
4.0114 -4.9960 7.9984 -0.5478 -0.8399 0.2215

_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0299
_diffrn_reflns_av_unetI/netI     0.0250
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            24639
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        67.077
_diffrn_reflns_theta_max         67.077
_diffrn_reflns_theta_min         3.565
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      110.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.1450
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -22.00  32.00   1.00    1.00    --    0.00  37.00   0.00   54
  2  ω     37.00  67.00   1.00    1.00    --    0.00  37.00   0.00   30
  3  ω     74.00 112.00   1.00    4.00    --   54.00  57.00  90.00   38
  4  ω     83.00 156.00   1.00    8.00    --  108.00  37.00 150.00   73
  5  ω    149.00 176.00   1.00    8.00    --  108.00  63.00  90.00   27
  6  ω    122.00 164.00   1.00    8.00    --  108.00 111.00   0.00   42
  7  ω    115.00 174.00   1.00    8.00    --  108.00 111.00 120.00   59
  8  ω    106.00 178.00   1.00    8.00    --  108.00  25.00  90.00   72
  9  ω     98.00 173.00   1.00    8.00    --  108.00  37.00  30.00   75
 10  ω    153.00 178.00   1.00    8.00    --  108.00  50.00-120.00   25
 11  ω     86.00 124.00   1.00    8.00    --  108.00  50.00-120.00   38
 12  ω     78.00 159.00   1.00    8.00    --  108.00  77.00 -90.00   81
 13  ω     86.00 170.00   1.00    8.00    --  108.00  77.00 -30.00   84
 14  ω     90.00 117.00   1.00    8.00    --  108.00  63.00  90.00   27
 15  ω     65.00  92.00   1.00    4.00    --   54.00 -19.00 -30.00   27
 16  ω     36.00 122.00   1.00    8.00    --  108.00 -37.00-150.00   86
 17  ω     51.00 112.00   1.00    8.00    --  108.00-111.00 -30.00   61
 18  ω     55.00  82.00   1.00    8.00    --  108.00-111.00   0.00   27
 19  ω     36.00 143.00   1.00    8.00    --  108.00 -91.00 150.00  107
 20  ω     34.00 123.00   1.00    4.00    --   54.00  57.00 150.00   89
 21  ω     60.00 151.00   1.00    8.00    --  108.00 178.00 150.00   91
 22  ω     10.00  60.00   1.00    4.00    --   54.00  19.00 -60.00   50
 23  ω    -14.00  74.00   1.00    4.00    --   54.00 -57.00   0.00   88
 24  ω    -16.00   9.00   1.00    4.00    --   54.00 -19.00 -30.00   25
 25  ω    -15.00  73.00   1.00    4.00    --   54.00 -77.00 -60.00   88
 26  ω     23.00 100.00   1.00    4.00    --   54.00-125.00-180.00   77
 27  ω    -14.00  58.00   1.00    4.00    --   54.00 -57.00-150.00   72
 28  ω    -30.00  60.00   1.00    1.00    --    0.00  77.00-180.00   90
 29  ω    -35.00  -8.00   1.00    1.00    --    0.00  90.00 -15.00   27
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0035272000
_diffrn_orient_matrix_UB_12      -0.0266169000
_diffrn_orient_matrix_UB_13      -0.0833414000
_diffrn_orient_matrix_UB_21      -0.0547799000
_diffrn_orient_matrix_UB_22      0.0845176000
_diffrn_orient_matrix_UB_23      -0.0247463000
_diffrn_orient_matrix_UB_31      0.1116776000
_diffrn_orient_matrix_UB_32      0.0405880000
_diffrn_orient_matrix_UB_33      -0.0029653000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5539
_reflns_number_total             6231
_reflns_odcompleteness_completeness 99.97
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.39.29d (Rigaku OD, 2017)'
_computing_data_collection       'CrysAlisPro 1.171.39.29d (Rigaku OD, 2017)'
_computing_data_reduction        'CrysAlisPro 1.171.39.29d (Rigaku OD, 2017)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.205
_refine_diff_density_min         -0.934
_refine_diff_density_rms         0.079
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     515
_refine_ls_number_reflns         6231
_refine_ls_number_restraints     5
_refine_ls_R_factor_all          0.0412
_refine_ls_R_factor_gt           0.0358
_refine_ls_restrained_S_all      1.037
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0588P)²+4.0540P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0932
_refine_ls_wR_factor_ref         0.0982
_refine_special_details          
;
The crystal contained a mixture of two cationic complexes and two anions.

The cations were a mixture of the fluorocarbene and fluorovinylidene complexes
in a refined ratio of 0.749:0.251(4),  The latter complex was present as 
two diasteroisomers with refined occupancies of 0.173:0.077(6).
For the vinylidene complex, the phenyl ring was constrained to be a 
regular hexagon with the monofluoromethylene group and phenyl restrained
to be planar.  The ADP of pairs of the phenyl carbons were constrained to 
be equal (ie. C9 & C9A, C10 & C10a etc) as were the ADP of F7 & F7a.

The anion was a mixture of pentafluorosilicate and hexafluorophosphate in
a refined ratio of 0.730:0.270(8).  The ADP of the silicon and phosphorus 
were constrained to be equal.
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2. Restrained planarity
 C7, C8, C9, C10, C11, C12, C13
 with sigma of 0.1
3. Uiso/Uaniso restraints and constraints
Uanis(Si1) = Uanis(P3)
Uanis(C8) = Uanis(C8A)
Uanis(C13A) = Uanis(C13)
Uanis(C9A) = Uanis(C9)
Uanis(C10A) = Uanis(C10)
Uanis(C11A) = Uanis(C11)
Uanis(C12A) = Uanis(C12)
Uanis(C7) = Uanis(C7A)
Uanis(F2B) = Uanis(F1)
4. Others
 1*[Sof(H7AA)+Sof(F2A)]+1*[Sof(H7AB)+Sof(F2B)]+1*[Sof(C7)+Sof(C7A)+Sof(C8)+
 Sof(C13)+Sof(H13)+Sof(C12)+Sof(H12)+Sof(C11)+Sof(H11)+Sof(C10)+Sof(H10)+
 Sof(C9)+Sof(H9)+Sof(C8A)+Sof(C9A)+Sof(H9A)+Sof(C10A)+Sof(H10A)+Sof(C11A)+
 Sof(H11A)+Sof(C12A)+Sof(H12A)+Sof(C13A)+Sof(H13A)+Sof(F1)+Sof(F1A)]=1 with esd
 of 0.001
 Sof(F5B)=Sof(F6B)=Sof(F7B)=Sof(F8B)=Sof(P3)=1-FVAR(1)
 Sof(F5A)=Sof(F6A)=Sof(F7A)=Sof(Si1)=FVAR(1)
 Sof(C7A)=Sof(C8A)=Sof(C9A)=Sof(H9A)=Sof(C10A)=Sof(H10A)=Sof(C11A)=Sof(H11A)=
 Sof(C12A)=Sof(H12A)=Sof(C13A)=Sof(H13A)=Sof(F1A)=1-FVAR(2)
 Sof(C7)=Sof(C8)=Sof(C13)=Sof(H13)=Sof(C12)=Sof(H12)=Sof(C11)=Sof(H11)=
 Sof(C10)=Sof(H10)=Sof(C9)=Sof(H9)=Sof(F1)=FVAR(2)
 Sof(H7AA)=Sof(F2A)=FVAR(3)
 Sof(H7AB)=Sof(F2B)=FVAR(4)
5.a Riding coordinates:
 C7A(H7AA,H7AB)
5.b Secondary CH2 refined with riding coordinates:
 C26(H26A,H26B), C27(H27A,H27B)
5.c Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C4(H4), C5(H5), C13(H13), C12(H12), C11(H11),
 C10(H10), C9(H9), C9A(H9A), C10A(H10A), C11A(H11A), C12A(H12A), C13A(H13A),
 C15(H15), C16(H16), C17(H17), C18(H18), C19(H19), C21(H21), C22(H22), C23(H23),
  C24(H24), C25(H25), C29(H29), C30(H30), C31(H31), C32(H32), C33(H33),
 C35(H35), C36(H36), C37(H37), C38(H38), C39(H39)
5.d Fitted hexagon refined as free rotating group:
 C8(C13,C12,C11,C10,C9)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.4646(3) 0.6553(2) 0.2672(2) 0.0335(7) Uani 1 1 d . . . . .
H1 H 0.4860 0.7016 0.2384 0.040 Uiso 1 1 calc R . . . .
C2 C 0.3964(2) 0.5879(2) 0.2392(2) 0.0332(7) Uani 1 1 d . . . . .
H2 H 0.3642 0.5809 0.1885 0.040 Uiso 1 1 calc R . . . .
C3 C 0.3848(3) 0.5329(2) 0.3003(2) 0.0323(7) Uani 1 1 d . . . . .
H3 H 0.3426 0.4827 0.2979 0.039 Uiso 1 1 calc R . . . .
C4 C 0.4470(3) 0.5658(2) 0.3658(2) 0.0348(7) Uani 1 1 d . . . . .
H4 H 0.4548 0.5410 0.4147 0.042 Uiso 1 1 calc R . . . .
C5 C 0.4954(2) 0.6419(2) 0.3452(2) 0.0326(7) Uani 1 1 d . . . . .
H5 H 0.5407 0.6778 0.3781 0.039 Uiso 1 1 calc R . . . .
C6 C 0.2263(2) 0.72473(19) 0.25808(17) 0.0262(6) Uani 1 1 d . . . . .
C7 C 0.1636(3) 0.7612(3) 0.2017(2) 0.0266(9) Uani 0.749(4) 1 d . . P A 1
C7A C 0.2205(11) 0.7465(8) 0.1833(7) 0.0266(9) Uani 0.251(4) 1 d . . P A 2
H7AA H 0.2458 0.8033 0.1681 0.032 Uiso 0.173(6) 1 d R . P B 2
H7AB H 0.2845 0.7222 0.1623 0.032 Uiso 0.077(6) 1 d R . P C 2
C8 C 0.0865(3) 0.7185(4) 0.1442(2) 0.0262(11) Uani 0.749(4) 1 d . . P A 1
C13 C 0.1053(6) 0.6344(4) 0.1267(4) 0.0330(15) Uani 0.749(4) 1 d G . P A 1
H13 H 0.1659 0.6054 0.1519 0.040 Uiso 0.749(4) 1 calc R . P A 1
C12 C 0.0353(8) 0.5928(4) 0.0722(6) 0.0386(13) Uani 0.749(4) 1 d G . P A 1
H12 H 0.0481 0.5353 0.0602 0.046 Uiso 0.749(4) 1 calc R . P A 1
C11 C -0.0534(6) 0.6352(5) 0.0353(4) 0.0427(19) Uani 0.749(4) 1 d G . P A 1
H11 H -0.1012 0.6067 -0.0019 0.051 Uiso 0.749(4) 1 calc R . P A 1
C10 C -0.0722(4) 0.7192(5) 0.0528(3) 0.0403(18) Uani 0.749(4) 1 d G . P A 1
H10 H -0.1329 0.7482 0.0276 0.048 Uiso 0.749(4) 1 calc R . P A 1
C9 C -0.0022(4) 0.7609(3) 0.1073(3) 0.0356(18) Uani 0.749(4) 1 d G . P A 1
H9 H -0.0151 0.8183 0.1193 0.043 Uiso 0.749(4) 1 calc R . P A 1
C8A C 0.1208(14) 0.7112(16) 0.1396(11) 0.0262(11) Uani 0.251(4) 1 d . . P A 2
C9A C 0.025(2) 0.7625(17) 0.1192(16) 0.0356(18) Uani 0.251(4) 1 d . . P A 2
H9A H 0.0231 0.8184 0.1384 0.043 Uiso 0.251(4) 1 calc R . P A 2
C10A C -0.062(2) 0.732(2) 0.0726(15) 0.0403(18) Uani 0.251(4) 1 d . . P A 2
H10A H -0.1215 0.7680 0.0566 0.048 Uiso 0.251(4) 1 calc R . P A 2
C11A C -0.062(3) 0.648(2) 0.0492(19) 0.0427(19) Uani 0.251(4) 1 d . . P A 2
H11A H -0.1231 0.6272 0.0176 0.051 Uiso 0.251(4) 1 calc R . P A 2
C12A C 0.021(3) 0.5966(17) 0.0702(19) 0.0386(13) Uani 0.251(4) 1 d . . P A 2
H12A H 0.0182 0.5392 0.0542 0.046 Uiso 0.251(4) 1 calc R . P A 2
C13A C 0.112(2) 0.6258(18) 0.1149(19) 0.0330(15) Uani 0.251(4) 1 d . . P A 2
H13A H 0.1695 0.5878 0.1294 0.040 Uiso 0.251(4) 1 calc R . P A 2
C14 C 0.0515(2) 0.57051(19) 0.30260(17) 0.0251(6) Uani 1 1 d . . . . .
C15 C 0.0675(3) 0.4893(2) 0.27569(19) 0.0312(7) Uani 1 1 d . . . . .
H15 H 0.1320 0.4594 0.2924 0.037 Uiso 1 1 calc R . . . .
C16 C -0.0110(3) 0.4522(2) 0.2245(2) 0.0366(7) Uani 1 1 d . . . . .
H16 H 0.0002 0.3968 0.2061 0.044 Uiso 1 1 calc R . . . .
C17 C -0.1047(3) 0.4947(2) 0.2001(2) 0.0385(8) Uani 1 1 d . . . . .
H17 H -0.1585 0.4685 0.1654 0.046 Uiso 1 1 calc R . . . .
C18 C -0.1208(3) 0.5760(2) 0.2263(2) 0.0365(8) Uani 1 1 d . . . . .
H18 H -0.1855 0.6055 0.2092 0.044 Uiso 1 1 calc R . . . .
C19 C -0.0429(3) 0.6143(2) 0.27747(18) 0.0307(7) Uani 1 1 d . . . . .
H19 H -0.0539 0.6700 0.2952 0.037 Uiso 1 1 calc R . . . .
C20 C 0.1718(2) 0.54346(19) 0.45003(17) 0.0264(6) Uani 1 1 d . . . . .
C21 C 0.2382(3) 0.4724(2) 0.44949(19) 0.0347(7) Uani 1 1 d . . . . .
H21 H 0.2737 0.4611 0.4064 0.042 Uiso 1 1 calc R . . . .
C22 C 0.2530(3) 0.4182(2) 0.5109(2) 0.0395(8) Uani 1 1 d . . . . .
H22 H 0.2968 0.3693 0.5090 0.047 Uiso 1 1 calc R . . . .
C23 C 0.2046(3) 0.4350(2) 0.5745(2) 0.0387(8) Uani 1 1 d . . . . .
H23 H 0.2166 0.3984 0.6170 0.046 Uiso 1 1 calc R . . . .
C24 C 0.1387(3) 0.5048(2) 0.57645(19) 0.0347(7) Uani 1 1 d . . . . .
H24 H 0.1051 0.5163 0.6203 0.042 Uiso 1 1 calc R . . . .
C25 C 0.1215(3) 0.5584(2) 0.51427(19) 0.0326(7) Uani 1 1 d . . . . .
H25 H 0.0748 0.6057 0.5156 0.039 Uiso 1 1 calc R . . . .
C26 C 0.0957(3) 0.7124(2) 0.40521(18) 0.0304(7) Uani 1 1 d . . . . .
H26A H 0.0701 0.7503 0.3625 0.036 Uiso 1 1 calc R . . . .
H26B H 0.0332 0.6969 0.4316 0.036 Uiso 1 1 calc R . . . .
C27 C 0.1808(3) 0.75767(19) 0.45970(18) 0.0293(7) Uani 1 1 d . . . . .
H27A H 0.1867 0.7298 0.5098 0.035 Uiso 1 1 calc R . . . .
H27B H 0.1589 0.8173 0.4660 0.035 Uiso 1 1 calc R . . . .
C28 C 0.3429(2) 0.86438(19) 0.40263(17) 0.0245(6) Uani 1 1 d . . . . .
C29 C 0.3762(2) 0.8880(2) 0.33419(19) 0.0306(7) Uani 1 1 d . . . . .
H29 H 0.3830 0.8464 0.2966 0.037 Uiso 1 1 calc R . . . .
C30 C 0.3995(3) 0.9718(2) 0.3205(2) 0.0382(8) Uani 1 1 d . . . . .
H30 H 0.4207 0.9877 0.2731 0.046 Uiso 1 1 calc R . . . .
C31 C 0.3919(3) 1.0323(2) 0.3754(2) 0.0378(8) Uani 1 1 d . . . . .
H31 H 0.4100 1.0895 0.3662 0.045 Uiso 1 1 calc R . . . .
C32 C 0.3579(3) 1.0099(2) 0.4442(2) 0.0355(7) Uani 1 1 d . . . . .
H32 H 0.3515 1.0519 0.4815 0.043 Uiso 1 1 calc R . . . .
C33 C 0.3334(3) 0.9264(2) 0.45798(19) 0.0322(7) Uani 1 1 d . . . . .
H33 H 0.3101 0.9109 0.5049 0.039 Uiso 1 1 calc R . . . .
C34 C 0.4114(3) 0.73090(19) 0.50508(17) 0.0303(7) Uani 1 1 d . . . . .
C35 C 0.5122(3) 0.7682(2) 0.5109(2) 0.0352(7) Uani 1 1 d . . . . .
H35 H 0.5284 0.8080 0.4739 0.042 Uiso 1 1 calc R . . . .
C36 C 0.5902(3) 0.7476(2) 0.5710(2) 0.0427(9) Uani 1 1 d . . . . .
H36 H 0.6597 0.7728 0.5745 0.051 Uiso 1 1 calc R . . . .
C37 C 0.5669(4) 0.6911(2) 0.6248(2) 0.0480(10) Uani 1 1 d . . . . .
H37 H 0.6198 0.6781 0.6660 0.058 Uiso 1 1 calc R . . . .
C38 C 0.4664(4) 0.6528(2) 0.6195(2) 0.0499(10) Uani 1 1 d . . . . .
H38 H 0.4508 0.6137 0.6571 0.060 Uiso 1 1 calc R . . . .
C39 C 0.3887(3) 0.6716(2) 0.5594(2) 0.0409(8) Uani 1 1 d . . . . .
H39 H 0.3205 0.6443 0.5550 0.049 Uiso 1 1 calc R . . . .
F1 F 0.1749(4) 0.8435(2) 0.1906(3) 0.0791(13) Uani 0.749(4) 1 d . . P A 1
F1A F 0.1529(8) 0.7876(6) 0.2837(5) 0.054(3) Uani 0.251(4) 1 d . . P A 2
F2A F 0.3118(12) 0.7090(10) 0.1507(9) 0.063(5) Uani 0.173(6) 1 d . . P A 2
F2B F 0.246(4) 0.827(2) 0.156(2) 0.0791(13) Uani 0.077(6) 1 d . . P A 2
P1 P 0.15600(6) 0.61698(4) 0.36994(4) 0.02316(16) Uani 1 1 d . . . . .
P2 P 0.31310(6) 0.75470(4) 0.42319(4) 0.02320(16) Uani 1 1 d . . . . .
Ru1 Ru 0.31326(2) 0.65892(2) 0.32606(2) 0.02109(9) Uani 1 1 d . . . . .
F3 F 0.7560(2) 0.86239(17) 0.26086(14) 0.0594(7) Uani 1 1 d . . . . .
F4 F 0.7498(2) 0.93306(19) 0.37235(18) 0.0772(8) Uani 1 1 d . . . . .
F5A F 0.6154(6) 0.8094(4) 0.3180(5) 0.0596(18) Uani 0.730(8) 1 d . . P D 1
F5B F 0.6188(17) 0.8461(11) 0.3130(15) 0.067(5) Uani 0.270(8) 1 d . . P D 2
F6A F 0.8409(8) 0.7845(6) 0.3580(5) 0.062(2) Uani 0.730(8) 1 d . . P D 1
F6B F 0.7208(7) 0.7299(5) 0.3007(6) 0.052(3) Uani 0.270(8) 1 d . . P D 2
F7A F 0.7129(4) 0.8171(4) 0.4350(3) 0.0565(12) Uani 0.730(8) 1 d . . P D 1
F7B F 0.865(2) 0.8088(18) 0.3563(18) 0.082(8) Uani 0.270(8) 1 d . . P D 2
F8B F 0.7190(13) 0.7757(10) 0.4114(9) 0.070(4) Uani 0.270(8) 1 d . . P D 2
P3 P 0.7410(8) 0.8226(5) 0.3352(5) 0.0323(5) Uani 0.270(8) 1 d . . P D 2
Si1 Si 0.7338(3) 0.8415(2) 0.34970(19) 0.0323(5) Uani 0.730(8) 1 d . . P D 1


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 H1 0.9500 . ?
C1 C2 1.415(5) . ?
C1 C5 1.415(5) . ?
C1 Ru1 2.273(3) . ?
C2 H2 0.9500 . ?
C2 C3 1.414(5) . ?
C2 Ru1 2.265(3) . ?
C3 H3 0.9500 . ?
C3 C4 1.421(5) . ?
C3 Ru1 2.251(3) . ?
C4 H4 0.9500 . ?
C4 C5 1.415(5) . ?
C4 Ru1 2.274(3) . ?
C5 H5 0.9500 . ?
C5 Ru1 2.276(3) . ?
C6 C7 1.328(5) . ?
C6 C7A 1.371(13) . ?
C6 F1A 1.462(10) . ?
C6 Ru1 1.846(3) . ?
C7 C8 1.480(6) . ?
C7 F1 1.325(5) . ?
C7A H7AA 1.0001 . ?
C7A H7AB 0.9998 . ?
C7A C8A 1.49(2) . ?
C7A F2A 1.47(2) . ?
C7A F2B 1.42(4) . ?
C8 C13 1.3900 . ?
C8 C9 1.3900 . ?
C13 H13 0.9500 . ?
C13 C12 1.3900 . ?
C12 H12 0.9500 . ?
C12 C11 1.3900 . ?
C11 H11 0.9500 . ?
C11 C10 1.3900 . ?
C10 H10 0.9500 . ?
C10 C9 1.3900 . ?
C9 H9 0.9500 . ?
C8A C9A 1.45(3) . ?
C8A C13A 1.42(3) . ?
C9A H9A 0.9500 . ?
C9A C10A 1.38(3) . ?
C10A H10A 0.9500 . ?
C10A C11A 1.38(3) . ?
C11A H11A 0.9500 . ?
C11A C12A 1.34(3) . ?
C12A H12A 0.9500 . ?
C12A C13A 1.38(2) . ?
C13A H13A 0.9500 . ?
C14 C15 1.392(4) . ?
C14 C19 1.394(4) . ?
C14 P1 1.817(3) . ?
C15 H15 0.9500 . ?
C15 C16 1.385(5) . ?
C16 H16 0.9500 . ?
C16 C17 1.374(5) . ?
C17 H17 0.9500 . ?
C17 C18 1.389(5) . ?
C18 H18 0.9500 . ?
C18 C19 1.389(5) . ?
C19 H19 0.9500 . ?
C20 C21 1.396(5) . ?
C20 C25 1.393(4) . ?
C20 P1 1.833(3) . ?
C21 H21 0.9500 . ?
C21 C22 1.384(5) . ?
C22 H22 0.9500 . ?
C22 C23 1.374(5) . ?
C23 H23 0.9500 . ?
C23 C24 1.379(5) . ?
C24 H24 0.9500 . ?
C24 C25 1.390(5) . ?
C25 H25 0.9500 . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C26 C27 1.527(4) . ?
C26 P1 1.830(3) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C27 P2 1.849(3) . ?
C28 C29 1.388(4) . ?
C28 C33 1.406(4) . ?
C28 P2 1.818(3) . ?
C29 H29 0.9500 . ?
C29 C30 1.382(5) . ?
C30 H30 0.9500 . ?
C30 C31 1.380(5) . ?
C31 H31 0.9500 . ?
C31 C32 1.392(5) . ?
C32 H32 0.9500 . ?
C32 C33 1.382(5) . ?
C33 H33 0.9500 . ?
C34 C35 1.383(5) . ?
C34 C39 1.401(5) . ?
C34 P2 1.829(3) . ?
C35 H35 0.9500 . ?
C35 C36 1.397(5) . ?
C36 H36 0.9500 . ?
C36 C37 1.366(6) . ?
C37 H37 0.9500 . ?
C37 C38 1.386(7) . ?
C38 H38 0.9500 . ?
C38 C39 1.388(5) . ?
C39 H39 0.9500 . ?
F2A H7AB 0.4682 . ?
F2B H7AA 0.4402 . ?
P1 Ru1 2.2992(7) . ?
P2 Ru1 2.2997(7) . ?
F3 P3 1.500(10) . ?
F3 Si1 1.675(4) . ?
F4 P3 1.864(8) . ?
F4 Si1 1.507(5) . ?
F5A Si1 1.600(8) . ?
F5B P3 1.57(2) . ?
F6A Si1 1.604(9) . ?
F6B P3 1.596(11) . ?
F7A Si1 1.621(5) . ?
F7B P3 1.56(3) . ?
F8B P3 1.601(16) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C2 C1 H1 125.8 . . ?
C2 C1 Ru1 71.52(18) . . ?
C5 C1 H1 125.8 . . ?
C5 C1 C2 108.4(3) . . ?
C5 C1 Ru1 71.98(18) . . ?
Ru1 C1 H1 122.4 . . ?
C1 C2 H2 126.2 . . ?
C1 C2 Ru1 72.14(18) . . ?
C3 C2 C1 107.7(3) . . ?
C3 C2 H2 126.2 . . ?
C3 C2 Ru1 71.23(17) . . ?
Ru1 C2 H2 122.2 . . ?
C2 C3 H3 125.9 . . ?
C2 C3 C4 108.2(3) . . ?
C2 C3 Ru1 72.27(17) . . ?
C4 C3 H3 125.9 . . ?
C4 C3 Ru1 72.56(18) . . ?
Ru1 C3 H3 121.0 . . ?
C3 C4 H4 126.1 . . ?
C3 C4 Ru1 70.85(17) . . ?
C5 C4 C3 107.8(3) . . ?
C5 C4 H4 126.1 . . ?
C5 C4 Ru1 71.96(18) . . ?
Ru1 C4 H4 122.8 . . ?
C1 C5 H5 126.0 . . ?
C1 C5 Ru1 71.78(18) . . ?
C4 C5 C1 108.0(3) . . ?
C4 C5 H5 126.0 . . ?
C4 C5 Ru1 71.81(18) . . ?
Ru1 C5 H5 122.1 . . ?
C7 C6 Ru1 170.6(3) . . ?
C7A C6 F1A 100.0(7) . . ?
C7A C6 Ru1 137.4(6) . . ?
F1A C6 Ru1 121.2(4) . . ?
C6 C7 C8 126.9(4) . . ?
F1 C7 C6 118.3(4) . . ?
F1 C7 C8 114.6(4) . . ?
C6 C7A H7AA 120.5 . . ?
C6 C7A H7AB 108.6 . . ?
C6 C7A C8A 110.8(12) . . ?
C6 C7A F2A 109.5(11) . . ?
C6 C7A F2B 125(2) . . ?
H7AA C7A H7AB 87.0 . . ?
C8A C7A H7AA 117.7 . . ?
C8A C7A H7AB 108.4 . . ?
F2A C7A H7AA 88.1 . . ?
F2A C7A H7AB 2.0 . . ?
F2A C7A C8A 106.4(13) . . ?
F2B C7A H7AA 6.4 . . ?
F2B C7A H7AB 89.4 . . ?
F2B C7A C8A 111(2) . . ?
F2B C7A F2A 90(2) . . ?
C13 C8 C7 118.5(4) . . ?
C13 C8 C9 120.0 . . ?
C9 C8 C7 121.5(4) . . ?
C8 C13 H13 120.0 . . ?
C12 C13 C8 120.0 . . ?
C12 C13 H13 120.0 . . ?
C13 C12 H12 120.0 . . ?
C13 C12 C11 120.0 . . ?
C11 C12 H12 120.0 . . ?
C12 C11 H11 120.0 . . ?
C12 C11 C10 120.0 . . ?
C10 C11 H11 120.0 . . ?
C11 C10 H10 120.0 . . ?
C9 C10 C11 120.0 . . ?
C9 C10 H10 120.0 . . ?
C8 C9 H9 120.0 . . ?
C10 C9 C8 120.0 . . ?
C10 C9 H9 120.0 . . ?
C9A C8A C7A 122(2) . . ?
C13A C8A C7A 123.1(18) . . ?
C13A C8A C9A 114.9(17) . . ?
C8A C9A H9A 119.2 . . ?
C10A C9A C8A 121.6(18) . . ?
C10A C9A H9A 119.2 . . ?
C9A C10A H10A 120.4 . . ?
C9A C10A C11A 119.1(18) . . ?
C11A C10A H10A 120.4 . . ?
C10A C11A H11A 119.2 . . ?
C12A C11A C10A 121.6(18) . . ?
C12A C11A H11A 119.2 . . ?
C11A C12A H12A 119.6 . . ?
C11A C12A C13A 120.7(17) . . ?
C13A C12A H12A 119.6 . . ?
C8A C13A H13A 119.1 . . ?
C12A C13A C8A 121.7(17) . . ?
C12A C13A H13A 119.1 . . ?
C15 C14 C19 119.8(3) . . ?
C15 C14 P1 118.6(2) . . ?
C19 C14 P1 121.6(2) . . ?
C14 C15 H15 120.1 . . ?
C16 C15 C14 119.9(3) . . ?
C16 C15 H15 120.1 . . ?
C15 C16 H16 119.7 . . ?
C17 C16 C15 120.6(3) . . ?
C17 C16 H16 119.7 . . ?
C16 C17 H17 120.1 . . ?
C16 C17 C18 119.9(3) . . ?
C18 C17 H17 120.1 . . ?
C17 C18 H18 119.8 . . ?
C19 C18 C17 120.3(3) . . ?
C19 C18 H18 119.8 . . ?
C14 C19 H19 120.2 . . ?
C18 C19 C14 119.5(3) . . ?
C18 C19 H19 120.2 . . ?
C21 C20 P1 120.7(2) . . ?
C25 C20 C21 118.0(3) . . ?
C25 C20 P1 121.2(2) . . ?
C20 C21 H21 119.6 . . ?
C22 C21 C20 120.9(3) . . ?
C22 C21 H21 119.6 . . ?
C21 C22 H22 119.8 . . ?
C23 C22 C21 120.3(3) . . ?
C23 C22 H22 119.8 . . ?
C22 C23 H23 120.0 . . ?
C22 C23 C24 119.9(3) . . ?
C24 C23 H23 120.0 . . ?
C23 C24 H24 120.0 . . ?
C23 C24 C25 120.0(3) . . ?
C25 C24 H24 120.0 . . ?
C20 C25 H25 119.6 . . ?
C24 C25 C20 120.8(3) . . ?
C24 C25 H25 119.6 . . ?
H26A C26 H26B 108.3 . . ?
C27 C26 H26A 110.0 . . ?
C27 C26 H26B 110.0 . . ?
C27 C26 P1 108.7(2) . . ?
P1 C26 H26A 110.0 . . ?
P1 C26 H26B 110.0 . . ?
C26 C27 H27A 109.6 . . ?
C26 C27 H27B 109.6 . . ?
C26 C27 P2 110.3(2) . . ?
H27A C27 H27B 108.1 . . ?
P2 C27 H27A 109.6 . . ?
P2 C27 H27B 109.6 . . ?
C29 C28 C33 119.4(3) . . ?
C29 C28 P2 121.6(2) . . ?
C33 C28 P2 119.0(2) . . ?
C28 C29 H29 119.8 . . ?
C30 C29 C28 120.3(3) . . ?
C30 C29 H29 119.8 . . ?
C29 C30 H30 119.9 . . ?
C31 C30 C29 120.2(3) . . ?
C31 C30 H30 119.9 . . ?
C30 C31 H31 119.9 . . ?
C30 C31 C32 120.3(3) . . ?
C32 C31 H31 119.9 . . ?
C31 C32 H32 120.1 . . ?
C33 C32 C31 119.8(3) . . ?
C33 C32 H32 120.1 . . ?
C28 C33 H33 120.0 . . ?
C32 C33 C28 120.0(3) . . ?
C32 C33 H33 120.0 . . ?
C35 C34 C39 119.5(3) . . ?
C35 C34 P2 119.2(3) . . ?
C39 C34 P2 121.1(3) . . ?
C34 C35 H35 119.9 . . ?
C34 C35 C36 120.1(4) . . ?
C36 C35 H35 119.9 . . ?
C35 C36 H36 119.9 . . ?
C37 C36 C35 120.1(4) . . ?
C37 C36 H36 119.9 . . ?
C36 C37 H37 119.8 . . ?
C36 C37 C38 120.4(3) . . ?
C38 C37 H37 119.8 . . ?
C37 C38 H38 120.0 . . ?
C37 C38 C39 120.1(4) . . ?
C39 C38 H38 120.0 . . ?
C34 C39 H39 120.2 . . ?
C38 C39 C34 119.7(4) . . ?
C38 C39 H39 120.2 . . ?
C7A F2A H7AB 4.4 . . ?
C7A F2B H7AA 14.8 . . ?
C14 P1 C20 105.05(14) . . ?
C14 P1 C26 105.51(14) . . ?
C14 P1 Ru1 117.76(9) . . ?
C20 P1 Ru1 115.65(10) . . ?
C26 P1 C20 105.25(15) . . ?
C26 P1 Ru1 106.54(11) . . ?
C27 P2 Ru1 111.41(10) . . ?
C28 P2 C27 105.12(14) . . ?
C28 P2 C34 102.87(14) . . ?
C28 P2 Ru1 117.08(10) . . ?
C34 P2 C27 105.39(16) . . ?
C34 P2 Ru1 113.84(10) . . ?
C1 Ru1 C4 60.44(13) . . ?
C1 Ru1 C5 36.24(13) . . ?
C1 Ru1 P1 160.66(9) . . ?
C1 Ru1 P2 116.25(9) . . ?
C2 Ru1 C1 36.34(12) . . ?
C2 Ru1 C4 60.80(13) . . ?
C2 Ru1 C5 60.71(12) . . ?
C2 Ru1 P1 124.93(9) . . ?
C2 Ru1 P2 152.08(9) . . ?
C3 Ru1 C1 60.66(12) . . ?
C3 Ru1 C2 36.50(13) . . ?
C3 Ru1 C4 36.59(12) . . ?
C3 Ru1 C5 60.79(12) . . ?
C3 Ru1 P1 101.07(9) . . ?
C3 Ru1 P2 140.52(9) . . ?
C4 Ru1 C5 36.24(12) . . ?
C4 Ru1 P1 109.49(9) . . ?
C4 Ru1 P2 104.99(9) . . ?
C5 Ru1 P1 142.69(9) . . ?
C5 Ru1 P2 93.28(9) . . ?
C6 Ru1 C1 99.60(13) . . ?
C6 Ru1 C2 96.41(13) . . ?
C6 Ru1 C3 125.43(13) . . ?
C6 Ru1 C4 156.95(13) . . ?
C6 Ru1 C5 131.50(13) . . ?
C6 Ru1 P1 85.80(9) . . ?
C6 Ru1 P2 94.01(10) . . ?
P1 Ru1 P2 81.57(3) . . ?
F3 P3 F4 85.0(5) . . ?
F3 P3 F5B 84.3(10) . . ?
F3 P3 F6B 94.3(6) . . ?
F3 P3 F7B 92.5(12) . . ?
F3 P3 F8B 176.0(8) . . ?
F5B P3 F4 83.2(8) . . ?
F5B P3 F6B 91.0(9) . . ?
F5B P3 F8B 93.5(12) . . ?
F6B P3 F4 174.2(7) . . ?
F6B P3 F8B 82.4(8) . . ?
F7B P3 F4 91.8(12) . . ?
F7B P3 F5B 174.3(15) . . ?
F7B P3 F6B 94.0(12) . . ?
F7B P3 F8B 89.9(13) . . ?
F8B P3 F4 98.0(7) . . ?
F4 Si1 F3 91.9(2) . . ?
F4 Si1 F5A 119.0(4) . . ?
F4 Si1 F6A 115.6(4) . . ?
F4 Si1 F7A 90.5(2) . . ?
F5A Si1 F3 88.9(3) . . ?
F5A Si1 F6A 125.3(6) . . ?
F5A Si1 F7A 90.4(4) . . ?
F6A Si1 F3 88.0(4) . . ?
F6A Si1 F7A 90.5(4) . . ?
F7A Si1 F3 177.6(3) . . ?

_olex2_date_sample_data_collection 2017-05-23
_olex2_date_sample_submission    2017-05-17
_olex2_exptl_crystal_mounting_method 'oil on 150 micrometre micromount'
_olex2_submission_original_sample_id 'lmh-225 green crystal'
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.164
_oxdiff_exptl_absorpt_empirical_full_min 0.902




