# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# 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_[3](PF6)
_database_code_depnum_ccdc_archive 'CCDC 2002947'
loop_
_audit_author_name
_audit_author_address
'Somnath Maji'
;Assistant Professor
India
;
_audit_update_record             
;
2020-05-10 deposited with the CCDC.	2020-07-01 downloaded from the CCDC.
;
_audit_creation_date             2019-07-24
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '0.8(C39 H27 N6 O2 Ru), 0.8(F6 P)'
_chemical_formula_sum            'C39 H27 F6 N6 O2 P Ru'
_chemical_formula_weight         857.70
_chemical_melting_point          ?
_chemical_oxdiff_formula         C39H27F6N6O2PRu
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'
N N 0.0061 0.0033 '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'
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           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                   15.9066(4)
_cell_length_b                   22.4041(6)
_cell_length_c                   14.3001(3)
_cell_angle_alpha                90
_cell_angle_beta                 90.642(2)
_cell_angle_gamma                90
_cell_volume                     5095.9(2)
_cell_formula_units_Z            5
_cell_measurement_reflns_used    3748
_cell_measurement_temperature    290
_cell_measurement_theta_max      24.4830
_cell_measurement_theta_min      2.7140
_shelx_estimated_absorpt_T_max   0.867
_shelx_estimated_absorpt_T_min   0.695
_exptl_absorpt_coefficient_mu    0.491
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.86726
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.46e (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'dull dark red'
_exptl_crystal_colour_lustre     dull
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.397
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2160
_exptl_crystal_size_max          0.8
_exptl_crystal_size_mid          0.5
_exptl_crystal_size_min          0.3
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0361
_diffrn_reflns_av_unetI/netI     0.0868
_diffrn_reflns_Laue_measured_fraction_full 0.926
_diffrn_reflns_Laue_measured_fraction_max 0.778
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            16368
_diffrn_reflns_point_group_measured_fraction_full 0.926
_diffrn_reflns_point_group_measured_fraction_max 0.778
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.984
_diffrn_reflns_theta_min         2.224
_diffrn_ambient_temperature      290
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.1293
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.926
_diffrn_measured_fraction_theta_max 0.778
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     41.00  96.00   1.00   52.77    --   19.48-178.00-120.00   55
  2  ω     38.00  78.00   1.00   52.77    --   19.48  57.00 -90.00   40
  3  ω     10.00  75.00   1.00   52.77    --   19.48  38.00   0.00   65
;
_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      -0.0413228000
_diffrn_orient_matrix_UB_12      -0.0068723000
_diffrn_orient_matrix_UB_13      -0.0158556000
_diffrn_orient_matrix_UB_21      0.0086955000
_diffrn_orient_matrix_UB_22      -0.0308710000
_diffrn_orient_matrix_UB_23      0.0050132000
_diffrn_orient_matrix_UB_31      -0.0144137000
_diffrn_orient_matrix_UB_32      0.0009527000
_diffrn_orient_matrix_UB_33      0.0467344000
_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         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6370
_reflns_number_total             10532
_reflns_odcompleteness_completeness 91.42
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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 1.171.39.46e (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.46e (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.46e (Rigaku OD, 2018)'
_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         0.528
_refine_diff_density_min         -0.441
_refine_diff_density_rms         0.082
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.984
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     496
_refine_ls_number_reflns         10532
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0975
_refine_ls_R_factor_gt           0.0636
_refine_ls_restrained_S_all      0.984
_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)+(0.0961P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1720
_refine_ls_wR_factor_ref         0.1953
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C12(H12), C7(H7), C25(H25), C9(H9), C13(H13), C24(H24), C1(H1), C2(H2),
 C15(H15), C4(H4), C19(H19), C3(H3), C16(H16), C28(H28), C23(H23), C14(H14),
 C22(H22), C17(H17), C31(H31), C38(H38), C35(H35), C33(H33), C18(H18), C30(H30),
  C29(H29), C36(H36), C37(H37)
;
_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 0.37174(2) 0.70027(2) 0.60218(3) 0.04015(14) Uani 1 1 d . . . . .
P002 P 0.67716(11) 0.88270(9) 0.59416(12) 0.0756(5) Uani 1 1 d . . . . .
N2 N 0.2669(2) 0.69782(15) 0.5277(2) 0.0348(8) Uani 1 1 d . . . . .
N5 N 0.4544(2) 0.67134(17) 0.5003(3) 0.0469(10) Uani 1 1 d . . . . .
N3 N 0.3701(2) 0.78533(17) 0.5428(3) 0.0442(9) Uani 1 1 d . . . . .
O2 O 0.3266(3) 0.77484(18) 0.7564(3) 0.0707(11) Uani 1 1 d . . . . .
N1 N 0.3315(2) 0.61469(16) 0.6323(3) 0.0437(9) Uani 1 1 d . . . . .
N4 N 0.4854(3) 0.69656(16) 0.6755(3) 0.0464(10) Uani 1 1 d . . . . .
N6 N 0.3036(3) 0.73228(19) 0.7101(3) 0.0498(10) Uani 1 1 d . . . . .
F00A F 0.7197(3) 0.8961(2) 0.6935(3) 0.1190(15) Uani 1 1 d . . . . .
O1 O 0.2360(3) 0.70627(18) 0.7309(3) 0.0727(12) Uani 1 1 d . . . . .
C6 C 0.2187(3) 0.6480(2) 0.5308(3) 0.0452(11) Uani 1 1 d . . . . .
C8 C 0.1224(3) 0.6928(2) 0.4242(3) 0.0454(12) Uani 1 1 d . . . . .
C12 C 0.2938(3) 0.8493(2) 0.4403(3) 0.0496(12) Uani 1 1 d . . . . .
H12 H 0.247409 0.855780 0.401394 0.060 Uiso 1 1 calc R . . . .
C7 C 0.1474(3) 0.6443(2) 0.4782(3) 0.0479(12) Uani 1 1 d . . . . .
H7 H 0.115480 0.609485 0.478299 0.057 Uiso 1 1 calc R . . . .
C25 C 0.4342(4) 0.6614(2) 0.4096(4) 0.0579(14) Uani 1 1 d . . . . .
H25 H 0.378326 0.665972 0.391192 0.069 Uiso 1 1 calc R . . . .
C11 C 0.3037(3) 0.79562(19) 0.4853(3) 0.0417(11) Uani 1 1 d . . . . .
C10 C 0.2436(3) 0.74603(19) 0.4769(3) 0.0375(10) Uani 1 1 d . . . . .
C5 C 0.2578(3) 0.5998(2) 0.5903(3) 0.0462(11) Uani 1 1 d . . . . .
C20 C 0.5536(3) 0.6767(2) 0.6267(4) 0.0574(14) Uani 1 1 d . . . . .
C9 C 0.1697(3) 0.7443(2) 0.4251(3) 0.0459(11) Uani 1 1 d . . . . .
H9 H 0.152202 0.777517 0.391147 0.055 Uiso 1 1 calc R . . . .
C13 C 0.3528(4) 0.8935(2) 0.4530(4) 0.0647(15) Uani 1 1 d . . . . .
H13 H 0.346336 0.930149 0.423387 0.078 Uiso 1 1 calc R . . . .
C26 C 0.0460(3) 0.6878(2) 0.3598(4) 0.0541(13) Uani 1 1 d . . . . .
C24 C 0.4901(4) 0.6452(3) 0.3440(4) 0.0700(17) Uani 1 1 d . . . . .
H24 H 0.473686 0.638156 0.282316 0.084 Uiso 1 1 calc R . . . .
C21 C 0.5356(3) 0.6649(2) 0.5277(4) 0.0568(13) Uani 1 1 d . . . . .
C1 C 0.3671(3) 0.5741(2) 0.6884(3) 0.0539(13) Uani 1 1 d . . . . .
H1 H 0.417606 0.583847 0.718084 0.065 Uiso 1 1 calc R . . . .
C2 C 0.3337(4) 0.5195(2) 0.7043(4) 0.0701(17) Uani 1 1 d . . . . .
H2 H 0.361655 0.492799 0.743478 0.084 Uiso 1 1 calc R . . . .
C27 C 0.0586(3) 0.6675(3) 0.2697(4) 0.0602(14) Uani 1 1 d . . . . .
C15 C 0.4278(3) 0.8286(2) 0.5540(4) 0.0596(14) Uani 1 1 d . . . . .
H15 H 0.474225 0.822055 0.592851 0.071 Uiso 1 1 calc R . . . .
C32 C -0.0148(4) 0.6594(3) 0.2088(4) 0.0680(17) Uani 1 1 d . . . . .
C4 C 0.2189(4) 0.5460(2) 0.6039(4) 0.0608(14) Uani 1 1 d . . . . .
H4 H 0.167619 0.537813 0.574832 0.073 Uiso 1 1 calc R . . . .
C39 C -0.0343(3) 0.7007(2) 0.3931(4) 0.0603(14) Uani 1 1 d . . . . .
F00X F 0.7610(3) 0.8700(3) 0.5508(4) 0.181(3) Uani 1 1 d . . . . .
C19 C 0.6313(4) 0.6691(3) 0.6701(5) 0.086(2) Uani 1 1 d . . . . .
H19 H 0.677665 0.657289 0.635741 0.104 Uiso 1 1 calc R . . . .
C3 C 0.2577(4) 0.5032(2) 0.6624(4) 0.0706(17) Uani 1 1 d . . . . .
H3 H 0.233686 0.465926 0.672471 0.085 Uiso 1 1 calc R . . . .
F010 F 0.5930(3) 0.8992(4) 0.6388(4) 0.181(3) Uani 1 1 d . . . . .
C16 C 0.4979(4) 0.7058(2) 0.7689(4) 0.0636(15) Uani 1 1 d . . . . .
H16 H 0.451821 0.717971 0.803599 0.076 Uiso 1 1 calc R . . . .
F012 F 0.6330(3) 0.8672(4) 0.5029(4) 0.193(3) Uani 1 1 d . . . . .
C28 C 0.1401(4) 0.6552(3) 0.2319(4) 0.0746(18) Uani 1 1 d . . . . .
H28 H 0.187680 0.659762 0.269581 0.090 Uiso 1 1 calc R . . . .
C34 C -0.1065(4) 0.6922(2) 0.3322(5) 0.0663(16) Uani 1 1 d . . . . .
C23 C 0.5734(5) 0.6396(3) 0.3730(5) 0.089(2) Uani 1 1 d . . . . .
H23 H 0.613842 0.629534 0.329258 0.107 Uiso 1 1 calc R . . . .
C14 C 0.4190(4) 0.8833(3) 0.5081(4) 0.0700(17) Uani 1 1 d . . . . .
H14 H 0.459702 0.912723 0.516084 0.084 Uiso 1 1 calc R . . . .
C22 C 0.5981(4) 0.6484(3) 0.4653(5) 0.0806(19) Uani 1 1 d . . . . .
H22 H 0.653742 0.643605 0.484589 0.097 Uiso 1 1 calc R . . . .
C17 C 0.5727(5) 0.6987(3) 0.8158(5) 0.081(2) Uani 1 1 d . . . . .
H17 H 0.577720 0.706893 0.879377 0.097 Uiso 1 1 calc R . . . .
C31 C -0.0003(6) 0.6404(3) 0.1151(5) 0.096(2) Uani 1 1 d . . . . .
H31 H -0.046449 0.634840 0.075502 0.115 Uiso 1 1 calc R . . . .
C38 C -0.0494(4) 0.7230(3) 0.4836(5) 0.0828(19) Uani 1 1 d . . . . .
H38 H -0.004433 0.728541 0.524731 0.099 Uiso 1 1 calc R . . . .
C35 C -0.1887(4) 0.7055(3) 0.3659(7) 0.104(3) Uani 1 1 d . . . . .
H35 H -0.235605 0.697741 0.328434 0.125 Uiso 1 1 calc R . . . .
C33 C -0.0954(4) 0.6709(3) 0.2432(5) 0.0792(19) Uani 1 1 d . . . . .
H33 H -0.142172 0.663841 0.205121 0.095 Uiso 1 1 calc R . . . .
C18 C 0.6388(5) 0.6793(3) 0.7660(6) 0.106(3) Uani 1 1 d . . . . .
H18 H 0.690162 0.672718 0.796025 0.128 Uiso 1 1 calc R . . . .
C30 C 0.0771(6) 0.6300(4) 0.0813(5) 0.100(2) Uani 1 1 d . . . . .
H30 H 0.084119 0.618370 0.019401 0.120 Uiso 1 1 calc R . . . .
C29 C 0.1487(5) 0.6372(4) 0.1428(5) 0.103(3) Uani 1 1 d . . . . .
H29 H 0.202172 0.629273 0.120333 0.123 Uiso 1 1 calc R . . . .
F01H F 0.6790(6) 0.9482(3) 0.5700(4) 0.216(3) Uani 1 1 d . . . . .
F01I F 0.6843(8) 0.8171(3) 0.6230(6) 0.305(6) Uani 1 1 d . . . . .
C36 C -0.1985(5) 0.7293(4) 0.4522(8) 0.126(3) Uani 1 1 d . . . . .
H36 H -0.251710 0.740747 0.471529 0.151 Uiso 1 1 calc R . . . .
C37 C -0.1296(4) 0.7369(4) 0.5123(6) 0.114(3) Uani 1 1 d . . . . .
H37 H -0.137882 0.751416 0.572391 0.136 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 N2 1.970(4) . ?
Ru1 N5 2.076(4) . ?
Ru1 N3 2.087(4) . ?
Ru1 N1 2.068(4) . ?
Ru1 N4 2.082(4) . ?
Ru1 N6 2.027(4) . ?
P002 F00A 1.595(4) . ?
P002 F00X 1.504(5) . ?
P002 F010 1.534(5) . ?
P002 F012 1.515(4) . ?
P002 F01H 1.507(6) . ?
P002 F01I 1.530(8) . ?
N2 C6 1.355(5) . ?
N2 C10 1.351(5) . ?
N5 C25 1.352(6) . ?
N5 C21 1.353(6) . ?
N3 C11 1.352(6) . ?
N3 C15 1.343(6) . ?
O2 N6 1.215(5) . ?
N1 C5 1.354(6) . ?
N1 C1 1.334(6) . ?
N4 C20 1.370(7) . ?
N4 C16 1.365(6) . ?
N6 O1 1.261(5) . ?
C6 C7 1.357(6) . ?
C6 C5 1.505(6) . ?
C8 C7 1.389(7) . ?
C8 C9 1.378(6) . ?
C8 C26 1.520(6) . ?
C12 H12 0.9300 . ?
C12 C11 1.372(6) . ?
C12 C13 1.374(7) . ?
C7 H7 0.9300 . ?
C25 H25 0.9300 . ?
C25 C24 1.349(7) . ?
C11 C10 1.469(6) . ?
C10 C9 1.384(6) . ?
C5 C4 1.368(7) . ?
C20 C21 1.465(8) . ?
C20 C19 1.387(8) . ?
C9 H9 0.9300 . ?
C13 H13 0.9300 . ?
C13 C14 1.328(7) . ?
C26 C27 1.382(7) . ?
C26 C39 1.398(7) . ?
C24 H24 0.9300 . ?
C24 C23 1.390(9) . ?
C21 C22 1.394(8) . ?
C1 H1 0.9300 . ?
C1 C2 1.354(7) . ?
C2 H2 0.9300 . ?
C2 C3 1.392(7) . ?
C27 C32 1.460(7) . ?
C27 C28 1.438(8) . ?
C15 H15 0.9300 . ?
C15 C14 1.397(7) . ?
C32 C31 1.428(9) . ?
C32 C33 1.403(9) . ?
C4 H4 0.9300 . ?
C4 C3 1.410(7) . ?
C39 C34 1.446(7) . ?
C39 C38 1.411(8) . ?
C19 H19 0.9300 . ?
C19 C18 1.394(10) . ?
C3 H3 0.9300 . ?
C16 H16 0.9300 . ?
C16 C17 1.368(8) . ?
C28 H28 0.9300 . ?
C28 C29 1.344(8) . ?
C34 C35 1.429(9) . ?
C34 C33 1.372(9) . ?
C23 H23 0.9300 . ?
C23 C22 1.387(9) . ?
C14 H14 0.9300 . ?
C22 H22 0.9300 . ?
C17 H17 0.9300 . ?
C17 C18 1.349(10) . ?
C31 H31 0.9300 . ?
C31 C30 1.348(10) . ?
C38 H38 0.9300 . ?
C38 C37 1.380(8) . ?
C35 H35 0.9300 . ?
C35 C36 1.355(11) . ?
C33 H33 0.9300 . ?
C18 H18 0.9300 . ?
C30 H30 0.9300 . ?
C30 C29 1.441(10) . ?
C29 H29 0.9300 . ?
C36 H36 0.9300 . ?
C36 C37 1.395(11) . ?
C37 H37 0.9300 . ?

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
N2 Ru1 N5 98.68(15) . . ?
N2 Ru1 N3 78.40(14) . . ?
N2 Ru1 N1 79.90(14) . . ?
N2 Ru1 N4 175.39(14) . . ?
N2 Ru1 N6 87.97(16) . . ?
N5 Ru1 N3 90.26(15) . . ?
N5 Ru1 N4 77.73(16) . . ?
N1 Ru1 N5 93.22(15) . . ?
N1 Ru1 N3 158.30(15) . . ?
N1 Ru1 N4 97.31(14) . . ?
N4 Ru1 N3 104.35(14) . . ?
N6 Ru1 N5 173.02(16) . . ?
N6 Ru1 N3 89.00(16) . . ?
N6 Ru1 N1 90.02(16) . . ?
N6 Ru1 N4 95.74(17) . . ?
F00X P002 F00A 91.9(3) . . ?
F00X P002 F010 176.9(4) . . ?
F00X P002 F012 90.3(3) . . ?
F00X P002 F01H 94.0(5) . . ?
F00X P002 F01I 82.3(5) . . ?
F010 P002 F00A 87.0(3) . . ?
F012 P002 F00A 176.4(4) . . ?
F012 P002 F010 90.9(3) . . ?
F012 P002 F01I 92.6(5) . . ?
F01H P002 F00A 90.7(3) . . ?
F01H P002 F010 83.1(4) . . ?
F01H P002 F012 92.0(4) . . ?
F01H P002 F01I 174.1(6) . . ?
F01I P002 F00A 84.9(4) . . ?
F01I P002 F010 100.5(6) . . ?
C6 N2 Ru1 118.7(3) . . ?
C10 N2 Ru1 119.6(3) . . ?
C10 N2 C6 121.7(4) . . ?
C25 N5 Ru1 125.4(3) . . ?
C25 N5 C21 118.4(4) . . ?
C21 N5 Ru1 116.1(3) . . ?
C11 N3 Ru1 114.2(3) . . ?
C15 N3 Ru1 127.2(4) . . ?
C15 N3 C11 118.6(4) . . ?
C5 N1 Ru1 113.9(3) . . ?
C1 N1 Ru1 128.8(3) . . ?
C1 N1 C5 117.3(4) . . ?
C20 N4 Ru1 116.4(3) . . ?
C16 N4 Ru1 127.1(4) . . ?
C16 N4 C20 116.1(5) . . ?
O2 N6 Ru1 122.1(4) . . ?
O2 N6 O1 119.1(4) . . ?
O1 N6 Ru1 118.8(3) . . ?
N2 C6 C7 120.1(4) . . ?
N2 C6 C5 112.3(4) . . ?
C7 C6 C5 127.4(4) . . ?
C7 C8 C26 120.1(4) . . ?
C9 C8 C7 119.8(5) . . ?
C9 C8 C26 120.0(4) . . ?
C11 C12 H12 120.2 . . ?
C11 C12 C13 119.6(5) . . ?
C13 C12 H12 120.2 . . ?
C6 C7 C8 119.5(4) . . ?
C6 C7 H7 120.2 . . ?
C8 C7 H7 120.2 . . ?
N5 C25 H25 117.9 . . ?
C24 C25 N5 124.1(6) . . ?
C24 C25 H25 117.9 . . ?
N3 C11 C12 121.3(4) . . ?
N3 C11 C10 115.1(4) . . ?
C12 C11 C10 123.6(4) . . ?
N2 C10 C11 112.8(4) . . ?
N2 C10 C9 119.4(4) . . ?
C9 C10 C11 127.8(4) . . ?
N1 C5 C6 115.1(4) . . ?
N1 C5 C4 123.0(5) . . ?
C4 C5 C6 121.8(5) . . ?
N4 C20 C21 113.8(5) . . ?
N4 C20 C19 121.2(6) . . ?
C19 C20 C21 125.0(5) . . ?
C8 C9 C10 119.3(4) . . ?
C8 C9 H9 120.3 . . ?
C10 C9 H9 120.3 . . ?
C12 C13 H13 120.3 . . ?
C14 C13 C12 119.4(5) . . ?
C14 C13 H13 120.3 . . ?
C27 C26 C8 117.8(5) . . ?
C27 C26 C39 121.8(5) . . ?
C39 C26 C8 120.4(5) . . ?
C25 C24 H24 121.6 . . ?
C25 C24 C23 116.7(6) . . ?
C23 C24 H24 121.6 . . ?
N5 C21 C20 115.8(4) . . ?
N5 C21 C22 121.9(6) . . ?
C22 C21 C20 122.3(5) . . ?
N1 C1 H1 118.3 . . ?
N1 C1 C2 123.5(5) . . ?
C2 C1 H1 118.3 . . ?
C1 C2 H2 119.8 . . ?
C1 C2 C3 120.4(5) . . ?
C3 C2 H2 119.8 . . ?
C26 C27 C32 118.3(5) . . ?
C26 C27 C28 123.7(5) . . ?
C28 C27 C32 118.0(5) . . ?
N3 C15 H15 119.6 . . ?
N3 C15 C14 120.8(5) . . ?
C14 C15 H15 119.6 . . ?
C31 C32 C27 117.5(6) . . ?
C33 C32 C27 119.8(6) . . ?
C33 C32 C31 122.8(6) . . ?
C5 C4 H4 120.4 . . ?
C5 C4 C3 119.2(5) . . ?
C3 C4 H4 120.4 . . ?
C26 C39 C34 119.4(6) . . ?
C26 C39 C38 123.5(5) . . ?
C38 C39 C34 117.1(6) . . ?
C20 C19 H19 120.4 . . ?
C20 C19 C18 119.1(6) . . ?
C18 C19 H19 120.4 . . ?
C2 C3 C4 116.6(5) . . ?
C2 C3 H3 121.7 . . ?
C4 C3 H3 121.7 . . ?
N4 C16 H16 117.3 . . ?
N4 C16 C17 125.3(6) . . ?
C17 C16 H16 117.3 . . ?
C27 C28 H28 119.5 . . ?
C29 C28 C27 121.1(6) . . ?
C29 C28 H28 119.5 . . ?
C35 C34 C39 119.5(7) . . ?
C33 C34 C39 119.6(6) . . ?
C33 C34 C35 120.8(6) . . ?
C24 C23 H23 119.0 . . ?
C22 C23 C24 122.0(5) . . ?
C22 C23 H23 119.0 . . ?
C13 C14 C15 120.3(5) . . ?
C13 C14 H14 119.9 . . ?
C15 C14 H14 119.9 . . ?
C21 C22 H22 121.6 . . ?
C23 C22 C21 116.8(6) . . ?
C23 C22 H22 121.6 . . ?
C16 C17 H17 121.4 . . ?
C18 C17 C16 117.3(6) . . ?
C18 C17 H17 121.4 . . ?
C32 C31 H31 118.5 . . ?
C30 C31 C32 123.1(7) . . ?
C30 C31 H31 118.5 . . ?
C39 C38 H38 119.3 . . ?
C37 C38 C39 121.4(7) . . ?
C37 C38 H38 119.3 . . ?
C34 C35 H35 119.9 . . ?
C36 C35 C34 120.2(7) . . ?
C36 C35 H35 119.9 . . ?
C32 C33 H33 119.5 . . ?
C34 C33 C32 121.1(6) . . ?
C34 C33 H33 119.5 . . ?
C19 C18 H18 119.6 . . ?
C17 C18 C19 120.9(6) . . ?
C17 C18 H18 119.6 . . ?
C31 C30 H30 120.6 . . ?
C31 C30 C29 118.7(7) . . ?
C29 C30 H30 120.6 . . ?
C28 C29 C30 121.6(7) . . ?
C28 C29 H29 119.2 . . ?
C30 C29 H29 119.2 . . ?
C35 C36 H36 119.6 . . ?
C35 C36 C37 120.8(7) . . ?
C37 C36 H36 119.6 . . ?
C38 C37 C36 120.7(7) . . ?
C38 C37 H37 119.6 . . ?
C36 C37 H37 119.6 . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 -0.719 0.000 -0.446 1011.0 183.6 ?
2 -0.927 0.500 -0.935 1011.0 183.6 ?

_olex2_date_sample_data_collection 2019-05-25
_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 1.240
_oxdiff_exptl_absorpt_empirical_full_min 0.723
