# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2022

####################################################################### 
# 
# 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_ru_pcymn_2_100k_2
_database_code_depnum_ccdc_archive 'CCDC 2177062'
loop_
_audit_author_name
_audit_author_address
'Angshuman Roy Choudhury'
;IISER Mohali India
India
;
_audit_update_record             
;
2022-08-26 deposited with the CCDC.	2022-10-03 downloaded from the CCDC.
;
_audit_creation_date             2022-08-26
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C32 H31 Cl N3 Ru, F6 P'
_chemical_formula_sum            'C32 H31 Cl F6 N3 P Ru'
_chemical_formula_weight         739.09
_chemical_melting_point          ?
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'
Cl Cl 0.1484 0.1585 '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'

_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                   12.6841(3)
_cell_length_b                   14.4742(3)
_cell_length_c                   16.9097(4)
_cell_angle_alpha                90
_cell_angle_beta                 98.756(2)
_cell_angle_gamma                90
_cell_volume                     3068.31(12)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    15395
_cell_measurement_temperature    100.0(2)
_cell_measurement_theta_max      32.8570
_cell_measurement_theta_min      2.7920
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.715
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.52703
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.35c (Rigaku Oxford Diffraction, 2017)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.600
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1496
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.2
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0257
_diffrn_reflns_av_unetI/netI     0.0260
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.950
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            35122
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.950
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         32.742
_diffrn_reflns_theta_min         2.590
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.0(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.950
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -69.00 118.20   0.30    3.00    --   29.89  54.00 150.00  624
  2  ω    -69.00 118.20   0.30    3.00    --   29.89  54.00  60.00  624
  3  ω    -69.00  17.10   0.30    3.00    --   29.89  54.00 -90.00  287
;
_diffrn_measurement_device       'two-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Mini (ROW)'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0550488000
_diffrn_orient_matrix_UB_12      0.0109722000
_diffrn_orient_matrix_UB_13      -0.0036392000
_diffrn_orient_matrix_UB_21      0.0122083000
_diffrn_orient_matrix_UB_22      0.0475510000
_diffrn_orient_matrix_UB_23      -0.0032336000
_diffrn_orient_matrix_UB_31      -0.0048922000
_diffrn_orient_matrix_UB_32      -0.0045625000
_diffrn_orient_matrix_UB_33      -0.0421435000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Rigaku (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                9288
_reflns_number_total             10758
_reflns_odcompleteness_completeness 99.85
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     25.30
_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 1.171.39.35c (Rigaku OD, 2017)'
_computing_data_collection       'CrysAlisPro 1.171.39.35c (Rigaku OD, 2017)'
_computing_data_reduction        'CrysAlisPro 1.171.39.35c (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         1.971
_refine_diff_density_min         -0.876
_refine_diff_density_rms         0.103
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.159
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     400
_refine_ls_number_reflns         10758
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0497
_refine_ls_R_factor_gt           0.0409
_refine_ls_restrained_S_all      1.159
_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)+(0.0403P)²+3.5734P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0960
_refine_ls_wR_factor_ref         0.1041
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C7(H7)
2.b Aromatic/amide H refined with riding coordinates:
 C5(H5), C18(H18), C3(H3), C2(H2), C16(H16), C6(H6), C19(H19), C14(H14),
 C11(H11), C12(H12), C13(H13), C21(H21), C26(H26), C24(H24), C22(H22), C28(H28),
  C23(H23), C32(H32), C30(H30), C29(H29), C31(H31)
2.c Idealised Me refined as rotating group:
 C8(H8A,H8B,H8C), C10(H10A,H10B,H10C), C9(H9A,H9B,H9C)
;
_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
Ru1 Ru 0.27193(2) 0.63695(2) 0.52230(2) 0.01655(5) Uani 1 1 d . . . . .
Cl1 Cl 0.37476(4) 0.60446(4) 0.41789(3) 0.02445(9) Uani 1 1 d . . . . .
P1 P 0.17943(4) 0.50792(4) 0.84560(3) 0.02136(10) Uani 1 1 d . . . . .
F6 F 0.16935(12) 0.61645(9) 0.86419(9) 0.0340(3) Uani 1 1 d . . . . .
F3 F 0.19116(12) 0.39993(9) 0.82674(8) 0.0317(3) Uani 1 1 d . . . . .
F4 F 0.10117(13) 0.52182(11) 0.76302(8) 0.0376(3) Uani 1 1 d . . . . .
F2 F 0.07887(12) 0.48615(10) 0.88876(9) 0.0355(3) Uani 1 1 d . . . . .
F1 F 0.25755(13) 0.49429(10) 0.92822(9) 0.0371(3) Uani 1 1 d . . . . .
F5 F 0.27979(12) 0.52958(10) 0.80053(10) 0.0371(3) Uani 1 1 d . . . . .
N3 N 0.37975(13) 0.74362(11) 0.54894(9) 0.0184(3) Uani 1 1 d . . . . .
N1 N 0.39465(13) 0.57705(11) 0.60588(10) 0.0190(3) Uani 1 1 d . . . . .
N2 N 0.46816(14) 0.64238(11) 0.64257(11) 0.0225(3) Uani 1 1 d . . . . .
C5 C 0.13456(15) 0.53859(13) 0.51736(12) 0.0203(3) Uani 1 1 d . . . . .
H5 H 0.1312 0.4744 0.5183 0.024 Uiso 1 1 calc R . . . .
C20 C 0.20567(15) 0.26989(13) 0.53410(12) 0.0201(3) Uani 1 1 d . . . . .
C15 C 0.45980(15) 0.73000(13) 0.60971(12) 0.0202(3) Uani 1 1 d . . . . .
C18 C 0.33437(17) 0.39022(14) 0.51784(12) 0.0237(4) Uani 1 1 d . . . . .
H18 H 0.3765 0.4213 0.4861 0.028 Uiso 1 1 calc R . . . .
C3 C 0.12825(15) 0.68402(14) 0.44454(11) 0.0210(3) Uani 1 1 d . . . . .
H3 H 0.1238 0.7162 0.3966 0.025 Uiso 1 1 calc R . . . .
C2 C 0.13898(15) 0.73292(14) 0.51755(12) 0.0218(3) Uani 1 1 d . . . . .
H2 H 0.1392 0.7972 0.5166 0.026 Uiso 1 1 calc R . . . .
C7 C 0.15863(17) 0.73603(15) 0.67228(13) 0.0255(4) Uani 1 1 d . . . . .
H7 H 0.2007 0.6967 0.7125 0.031 Uiso 1 1 calc R . . . .
C16 C 0.40308(16) 0.49381(13) 0.63379(12) 0.0222(3) Uani 1 1 d . . . . .
H16 H 0.4543 0.4816 0.6780 0.027 Uiso 1 1 calc R . . . .
C1 C 0.14945(15) 0.68665(14) 0.59257(12) 0.0210(3) Uani 1 1 d . . . . .
C4 C 0.12419(15) 0.58533(14) 0.44382(11) 0.0208(3) Uani 1 1 d . . . . .
C6 C 0.15020(15) 0.58883(14) 0.59043(12) 0.0212(3) Uani 1 1 d . . . . .
H6 H 0.1613 0.5564 0.6385 0.025 Uiso 1 1 calc R . . . .
C19 C 0.27139(17) 0.31786(14) 0.48704(12) 0.0234(4) Uani 1 1 d . . . . .
H19 H 0.2718 0.2999 0.4343 0.028 Uiso 1 1 calc R . . . .
C14 C 0.53184(17) 0.80054(14) 0.63809(13) 0.0246(4) Uani 1 1 d . . . . .
H14 H 0.5875 0.7896 0.6795 0.029 Uiso 1 1 calc R . . . .
C11 C 0.37062(16) 0.82734(13) 0.51294(12) 0.0217(3) Uani 1 1 d . . . . .
H11 H 0.3179 0.8359 0.4689 0.026 Uiso 1 1 calc R . . . .
C25 C 0.20722(15) 0.29678(13) 0.61510(11) 0.0195(3) Uani 1 1 d . . . . .
C17 C 0.33481(15) 0.41737(13) 0.59847(12) 0.0203(3) Uani 1 1 d . . . . .
C12 C 0.43625(17) 0.90013(14) 0.53897(13) 0.0250(4) Uani 1 1 d . . . . .
H12 H 0.4264 0.9576 0.5143 0.030 Uiso 1 1 calc R . . . .
C13 C 0.51783(18) 0.88633(15) 0.60296(13) 0.0260(4) Uani 1 1 d . . . . .
H13 H 0.5627 0.9349 0.6219 0.031 Uiso 1 1 calc R . . . .
C21 C 0.14155(16) 0.19334(14) 0.50439(13) 0.0240(4) Uani 1 1 d . . . . .
H21 H 0.1394 0.1753 0.4514 0.029 Uiso 1 1 calc R . . . .
C26 C 0.27437(15) 0.37025(13) 0.64634(12) 0.0195(3) Uani 1 1 d . . . . .
H26 H 0.2778 0.3869 0.6998 0.023 Uiso 1 1 calc R . . . .
C27 C 0.52546(17) 0.62861(14) 0.72156(12) 0.0230(4) Uani 1 1 d . . . . .
C24 C 0.14360(17) 0.24755(14) 0.66297(13) 0.0245(4) Uani 1 1 d . . . . .
H24 H 0.1429 0.2656 0.7157 0.029 Uiso 1 1 calc R . . . .
C22 C 0.08278(17) 0.14555(15) 0.55256(14) 0.0269(4) Uani 1 1 d . . . . .
H22 H 0.0427 0.0946 0.5325 0.032 Uiso 1 1 calc R . . . .
C8 C 0.04674(19) 0.74509(18) 0.69495(14) 0.0320(5) Uani 1 1 d . . . . .
H8A H 0.0038 0.7838 0.6567 0.048 Uiso 1 1 calc GR . . . .
H8B H 0.0516 0.7720 0.7473 0.048 Uiso 1 1 calc GR . . . .
H8C H 0.0146 0.6851 0.6951 0.048 Uiso 1 1 calc GR . . . .
C10 C 0.1136(2) 0.53337(17) 0.36686(13) 0.0309(4) Uani 1 1 d . . . . .
H10A H 0.1631 0.5576 0.3345 0.046 Uiso 1 1 calc GR . . . .
H10B H 0.0422 0.5399 0.3389 0.046 Uiso 1 1 calc GR . . . .
H10C H 0.1286 0.4692 0.3776 0.046 Uiso 1 1 calc GR . . . .
C28 C 0.6178(2) 0.57702(16) 0.73231(17) 0.0364(5) Uani 1 1 d . . . . .
H28 H 0.6439 0.5512 0.6888 0.044 Uiso 1 1 calc R . . . .
C23 C 0.08312(17) 0.17355(15) 0.63230(14) 0.0272(4) Uani 1 1 d . . . . .
H23 H 0.0421 0.1417 0.6644 0.033 Uiso 1 1 calc R . . . .
C32 C 0.4866(2) 0.6701(2) 0.78550(15) 0.0370(5) Uani 1 1 d . . . . .
H32 H 0.4238 0.7043 0.7772 0.044 Uiso 1 1 calc R . . . .
C9 C 0.2129(2) 0.83032(19) 0.67481(17) 0.0406(6) Uani 1 1 d . . . . .
H9A H 0.2806 0.8244 0.6564 0.061 Uiso 1 1 calc GR . . . .
H9B H 0.2237 0.8532 0.7287 0.061 Uiso 1 1 calc GR . . . .
H9C H 0.1687 0.8726 0.6409 0.061 Uiso 1 1 calc GR . . . .
C30 C 0.6342(3) 0.6060(2) 0.87355(18) 0.0610(11) Uani 1 1 d . . . . .
H30 H 0.6707 0.5981 0.9251 0.073 Uiso 1 1 calc R . . . .
C29 C 0.6717(3) 0.56440(18) 0.8103(2) 0.0571(10) Uani 1 1 d . . . . .
H29 H 0.7327 0.5279 0.8192 0.068 Uiso 1 1 calc R . . . .
C31 C 0.5431(3) 0.6593(3) 0.86159(16) 0.0547(9) Uani 1 1 d . . . . .
H31 H 0.5196 0.6882 0.9048 0.066 Uiso 1 1 calc R . . . .


_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
Ru1 Cl1 2.3959(5) . ?
Ru1 N3 2.0663(16) . ?
Ru1 N1 2.1220(16) . ?
Ru1 C5 2.2419(18) . ?
Ru1 C3 2.1875(19) . ?
Ru1 C2 2.1769(19) . ?
Ru1 C1 2.2146(19) . ?
Ru1 C4 2.2525(18) . ?
Ru1 C6 2.1768(19) . ?
P1 F6 1.6110(14) . ?
P1 F3 1.6067(14) . ?
P1 F4 1.5980(14) . ?
P1 F2 1.5946(15) . ?
P1 F1 1.5972(14) . ?
P1 F5 1.6108(15) . ?
N3 C15 1.345(2) . ?
N3 C11 1.353(2) . ?
N1 N2 1.404(2) . ?
N1 C16 1.292(2) . ?
N2 C15 1.382(2) . ?
N2 C27 1.434(3) . ?
C5 C4 1.404(3) . ?
C5 C6 1.421(3) . ?
C20 C19 1.419(3) . ?
C20 C25 1.421(3) . ?
C20 C21 1.420(3) . ?
C15 C14 1.405(3) . ?
C18 C19 1.371(3) . ?
C18 C17 1.418(3) . ?
C3 C2 1.412(3) . ?
C3 C4 1.429(3) . ?
C2 C1 1.423(3) . ?
C7 C1 1.514(3) . ?
C7 C8 1.531(3) . ?
C7 C9 1.526(3) . ?
C16 C17 1.474(3) . ?
C1 C6 1.416(3) . ?
C4 C10 1.491(3) . ?
C14 C13 1.376(3) . ?
C11 C12 1.373(3) . ?
C25 C26 1.414(3) . ?
C25 C24 1.419(3) . ?
C17 C26 1.377(3) . ?
C12 C13 1.393(3) . ?
C21 C22 1.372(3) . ?
C27 C28 1.378(3) . ?
C27 C32 1.391(3) . ?
C24 C23 1.372(3) . ?
C22 C23 1.407(3) . ?
C28 C29 1.401(4) . ?
C32 C31 1.383(4) . ?
C30 C29 1.374(6) . ?
C30 C31 1.378(6) . ?

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
N3 Ru1 Cl1 83.74(5) . . ?
N3 Ru1 N1 76.47(6) . . ?
N3 Ru1 C5 165.36(7) . . ?
N3 Ru1 C3 111.20(7) . . ?
N3 Ru1 C2 90.83(7) . . ?
N3 Ru1 C1 97.78(7) . . ?
N3 Ru1 C4 147.14(7) . . ?
N3 Ru1 C6 128.53(7) . . ?
N1 Ru1 Cl1 89.09(5) . . ?
N1 Ru1 C5 104.62(7) . . ?
N1 Ru1 C3 170.83(7) . . ?
N1 Ru1 C2 140.44(7) . . ?
N1 Ru1 C1 106.18(7) . . ?
N1 Ru1 C4 135.81(7) . . ?
N1 Ru1 C6 91.39(7) . . ?
C5 Ru1 Cl1 110.80(5) . . ?
C5 Ru1 C4 36.41(7) . . ?
C3 Ru1 Cl1 96.63(5) . . ?
C3 Ru1 C5 66.65(7) . . ?
C3 Ru1 C1 68.47(7) . . ?
C3 Ru1 C4 37.52(7) . . ?
C2 Ru1 Cl1 127.13(6) . . ?
C2 Ru1 C5 79.08(8) . . ?
C2 Ru1 C3 37.74(7) . . ?
C2 Ru1 C1 37.79(7) . . ?
C2 Ru1 C4 67.64(7) . . ?
C1 Ru1 Cl1 164.61(5) . . ?
C1 Ru1 C5 67.76(7) . . ?
C1 Ru1 C4 80.51(7) . . ?
C4 Ru1 Cl1 89.90(5) . . ?
C6 Ru1 Cl1 146.80(6) . . ?
C6 Ru1 C5 37.49(7) . . ?
C6 Ru1 C3 79.90(7) . . ?
C6 Ru1 C2 67.40(7) . . ?
C6 Ru1 C1 37.62(8) . . ?
C6 Ru1 C4 67.18(7) . . ?
F3 P1 F6 179.19(9) . . ?
F3 P1 F5 89.53(8) . . ?
F4 P1 F6 89.46(8) . . ?
F4 P1 F3 90.74(8) . . ?
F4 P1 F5 89.58(9) . . ?
F2 P1 F6 90.61(8) . . ?
F2 P1 F3 90.18(8) . . ?
F2 P1 F4 89.49(8) . . ?
F2 P1 F1 90.46(9) . . ?
F2 P1 F5 179.02(9) . . ?
F1 P1 F6 90.40(8) . . ?
F1 P1 F3 89.40(8) . . ?
F1 P1 F4 179.85(10) . . ?
F1 P1 F5 90.47(9) . . ?
F5 P1 F6 89.69(8) . . ?
C15 N3 Ru1 117.05(12) . . ?
C15 N3 C11 118.56(16) . . ?
C11 N3 Ru1 124.23(13) . . ?
N2 N1 Ru1 112.92(12) . . ?
C16 N1 Ru1 129.47(13) . . ?
C16 N1 N2 117.00(16) . . ?
N1 N2 C27 121.74(16) . . ?
C15 N2 N1 115.79(15) . . ?
C15 N2 C27 119.94(16) . . ?
C4 C5 Ru1 72.21(11) . . ?
C4 C5 C6 120.34(18) . . ?
C6 C5 Ru1 68.77(10) . . ?
C19 C20 C25 118.92(17) . . ?
C19 C20 C21 122.49(18) . . ?
C21 C20 C25 118.54(18) . . ?
N3 C15 N2 116.39(16) . . ?
N3 C15 C14 122.05(18) . . ?
N2 C15 C14 121.56(18) . . ?
C19 C18 C17 119.59(19) . . ?
C2 C3 Ru1 70.72(11) . . ?
C2 C3 C4 120.47(17) . . ?
C4 C3 Ru1 73.71(11) . . ?
C3 C2 Ru1 71.54(11) . . ?
C3 C2 C1 121.82(18) . . ?
C1 C2 Ru1 72.54(11) . . ?
C1 C7 C8 108.34(18) . . ?
C1 C7 C9 114.85(19) . . ?
C9 C7 C8 110.4(2) . . ?
N1 C16 C17 122.75(18) . . ?
C2 C1 Ru1 69.66(11) . . ?
C2 C1 C7 123.74(18) . . ?
C7 C1 Ru1 131.73(14) . . ?
C6 C1 Ru1 69.74(11) . . ?
C6 C1 C2 116.61(17) . . ?
C6 C1 C7 119.64(18) . . ?
C5 C4 Ru1 71.38(11) . . ?
C5 C4 C3 118.40(17) . . ?
C5 C4 C10 120.91(19) . . ?
C3 C4 Ru1 68.77(10) . . ?
C3 C4 C10 120.64(18) . . ?
C10 C4 Ru1 129.63(15) . . ?
C5 C6 Ru1 73.74(11) . . ?
C1 C6 Ru1 72.64(11) . . ?
C1 C6 C5 122.21(18) . . ?
C18 C19 C20 121.26(18) . . ?
C13 C14 C15 118.27(19) . . ?
N3 C11 C12 122.46(19) . . ?
C26 C25 C20 119.04(18) . . ?
C26 C25 C24 121.81(18) . . ?
C24 C25 C20 119.12(17) . . ?
C18 C17 C16 120.90(18) . . ?
C26 C17 C18 120.44(18) . . ?
C26 C17 C16 118.60(18) . . ?
C11 C12 C13 118.78(19) . . ?
C14 C13 C12 119.77(19) . . ?
C22 C21 C20 121.12(19) . . ?
C17 C26 C25 120.69(18) . . ?
C28 C27 N2 119.9(2) . . ?
C28 C27 C32 121.7(2) . . ?
C32 C27 N2 118.3(2) . . ?
C23 C24 C25 120.67(19) . . ?
C21 C22 C23 120.06(19) . . ?
C27 C28 C29 118.5(3) . . ?
C24 C23 C22 120.5(2) . . ?
C31 C32 C27 118.7(3) . . ?
C29 C30 C31 120.9(2) . . ?
C30 C29 C28 119.9(3) . . ?
C30 C31 C32 120.2(3) . . ?

_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 1.682
_oxdiff_exptl_absorpt_empirical_full_min 0.608
