# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2023

####################################################################### 
# 
# 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(phen)2(EA)](PF6)2
_database_code_depnum_ccdc_archive 'CCDC 2215176'
loop_
_audit_author_name
_audit_author_address
'Snehadrinarayan Khatua'
;North Eastern Hill University
India
;
_audit_update_record             
;
2022-10-25 deposited with the CCDC.	2023-01-23 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C40 H34 F12 N8 O2 P2 Ru'
_chemical_formula_weight         1049.76

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'
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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   12.766(4)
_cell_length_b                   29.689(8)
_cell_length_c                   15.064(4)
_cell_angle_alpha                89.982(8)
_cell_angle_beta                 101.429(8)
_cell_angle_gamma                90.015(9)
_cell_volume                     5596(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    4688
_cell_measurement_theta_min      2.534
_cell_measurement_theta_max      28.511

_exptl_crystal_description       plate
_exptl_crystal_colour            red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.246
_exptl_crystal_F_000             2112
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.180
_exptl_crystal_size_mid          0.110
_exptl_crystal_size_min          0.090
_exptl_absorpt_coefficient_mu    0.413
_shelx_estimated_absorpt_T_min   0.929
_shelx_estimated_absorpt_T_max   0.964
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.929
_exptl_absorpt_correction_T_max  0.946
_exptl_absorpt_process_details   'Bruker, SADABS'
_exptl_absorpt_special_details   'multi-scan absorption'
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'MICRO FOCUS TUBE'
_diffrn_measurement_device_type  'Bruker APEX II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            138492
_diffrn_reflns_av_unetI/netI     0.5604
_diffrn_reflns_av_R_equivalents  0.6848
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -39
_diffrn_reflns_limit_k_max       39
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         1.914
_diffrn_reflns_theta_max         28.591
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.987
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.987
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             14102
_reflns_number_gt                3482
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Ortep for Windows (Farrugia, 2012)'
_computing_publication_material  'WinGX publication routines (Farrugia, 2012)'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.2000P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         14102
_refine_ls_number_parameters     558
_refine_ls_number_restraints     8
_refine_ls_R_factor_all          0.4986
_refine_ls_R_factor_gt           0.2246
_refine_ls_wR_factor_ref         0.5491
_refine_ls_wR_factor_gt          0.4580
_refine_ls_goodness_of_fit_ref   1.200
_refine_ls_restrained_S_all      1.200
_refine_ls_shift/su_max          2.283
_refine_ls_shift/su_mean         0.058

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
C2 C 0.8727(15) 0.1949(8) 0.8461(16) 0.104(7) Uani 1 1 d . . . . .
H2 H 0.900859 0.193285 0.907867 0.125 Uiso 1 1 calc R U . . .
C6 C 0.7568(15) 0.2808(6) 0.5711(13) 0.072(5) Uani 1 1 d . . . . .
H6 H 0.739326 0.307777 0.540130 0.086 Uiso 1 1 calc R U . . .
C11 C 0.7987(13) 0.1971(6) 0.6736(13) 0.060(5) Uani 1 1 d . . . . .
C14 C 0.936(3) 0.2749(12) 0.968(2) 0.166(18) Uani 1 1 d . . . . .
H14A H 0.973966 0.246855 0.984077 0.199 Uiso 1 1 calc R U . . .
H14B H 0.983387 0.300442 0.984258 0.199 Uiso 1 1 calc R U . . .
C15 C 0.835(4) 0.2784(11) 1.001(2) 0.30(3) Uani 1 1 d . . . . .
H15A H 0.799583 0.306882 0.983880 0.363 Uiso 1 1 calc R U . . .
H15B H 0.786855 0.253873 0.978401 0.363 Uiso 1 1 calc R U . . .
C17 C 0.6235(13) 0.2734(6) 0.2833(11) 0.068(5) Uani 1 1 d D . . . .
H17A H 0.548755 0.267563 0.283441 0.082 Uiso 1 1 calc R U . . .
H17B H 0.626713 0.305435 0.271224 0.082 Uiso 1 1 calc R U . . .
C18 C 0.634(3) 0.2553(14) 0.203(2) 0.245(18) Uiso 1 1 d D . . . .
H18A H 0.589904 0.269640 0.151182 0.295 Uiso 1 1 calc R U . . .
H18B H 0.625258 0.222888 0.200514 0.295 Uiso 1 1 calc R U . . .
C20 C 0.4381(17) 0.1160(7) 0.668(2) 0.121(9) Uani 1 1 d . . . . .
H20 H 0.374322 0.130389 0.643296 0.145 Uiso 1 1 calc R U . . .
C22 C 0.5377(17) 0.0653(7) 0.7780(13) 0.070(5) Uani 1 1 d . . . . .
C24 C 0.623(2) 0.0167(9) 0.8741(16) 0.110(9) Uani 1 1 d . . . . .
H24 H 0.623466 -0.003985 0.920521 0.133 Uiso 1 1 calc R U . . .
C27 C 0.905(2) 0.0049(7) 0.8346(16) 0.108(8) Uani 1 1 d . . . . .
H27 H 0.967745 -0.010670 0.855742 0.130 Uiso 1 1 calc R U . . .
C28 C 0.9035(17) 0.0349(5) 0.7588(11) 0.076(6) Uani 1 1 d . . . . .
H28 H 0.963926 0.039842 0.734404 0.091 Uiso 1 1 calc R U . . .
C33 C 0.7294(18) -0.0015(7) 0.3800(13) 0.091(6) Uiso 1 1 d . . . . .
H33 H 0.722852 -0.021012 0.330923 0.109 Uiso 1 1 calc R U . . .
C35 C 0.904(3) 0.0170(7) 0.3623(12) 0.110(9) Uani 1 1 d . . . . .
H35 H 0.897339 -0.001667 0.311877 0.132 Uiso 1 1 calc R U . . .
C37 C 1.0119(17) 0.0716(6) 0.4719(13) 0.071(5) Uani 1 1 d . . . . .
O1 O 0.872(3) 0.2754(13) 1.095(2) 0.301(15) Uiso 1 1 d . . . . .
H1 H 0.888069 0.249208 1.108472 0.452 Uiso 1 1 calc R U . . .
O2 O 0.747(3) 0.2697(19) 0.219(3) 0.43(2) Uiso 1 1 d D . . . .
H2A H 0.773208 0.268730 0.272937 0.645 Uiso 1 1 calc R U . . .
P2 P 0.6980(5) 0.4105(2) 0.3885(4) 0.094(2) Uani 1 1 d . . . . .
F3 F 0.9506(13) 0.3820(5) 0.8545(16) 0.221(10) Uani 1 1 d . . . . .
F4 F 0.8188(17) 0.4110(7) 0.7396(11) 0.215(9) Uani 1 1 d . . . . .
F6 F 0.7833(16) 0.3715(6) 0.8361(13) 0.197(7) Uani 1 1 d . . . . .
F7 F 0.710(2) 0.3895(8) 0.4816(11) 0.263(12) Uani 1 1 d . . . . .
F8 F 0.7698(16) 0.3708(5) 0.3723(13) 0.203(8) Uani 1 1 d . . . . .
F9 F 0.6886(14) 0.4294(7) 0.2921(9) 0.192(7) Uani 1 1 d . . . . .
F10 F 0.6313(19) 0.4496(8) 0.4215(13) 0.286(13) Uani 1 1 d . . . . .
F11 F 0.8033(12) 0.4372(6) 0.4164(12) 0.196(8) Uani 1 1 d . . . . .
F12 F 0.5925(14) 0.3834(7) 0.3564(15) 0.231(10) Uani 1 1 d . . . . .
C1 C 0.8535(16) 0.1581(6) 0.7998(11) 0.073(6) Uani 1 1 d . . . . .
H1 H 0.868584 0.130893 0.830164 0.087 Uiso 1 1 calc R U . . .
C3 C 0.8514(14) 0.2383(6) 0.8037(11) 0.052(4) Uani 1 1 d . . . . .
C4 C 0.8224(15) 0.2379(6) 0.7151(13) 0.084(6) Uani 1 1 d . . . . .
C5 C 0.8025(16) 0.2816(6) 0.6565(13) 0.084(6) Uani 1 1 d . . . . .
H5 H 0.824089 0.309161 0.683441 0.101 Uiso 1 1 calc R U . . .
C7 C 0.7327(13) 0.2378(5) 0.5232(12) 0.058(5) Uani 1 1 d . . . . .
C8 C 0.6952(14) 0.2334(7) 0.4236(11) 0.067(5) Uani 1 1 d . . . . .
C9 C 0.6733(13) 0.1916(6) 0.3922(10) 0.059(5) Uani 1 1 d . . . . .
H9 H 0.644670 0.186755 0.331197 0.071 Uiso 1 1 calc R U . . .
C10 C 0.6940(13) 0.1552(6) 0.4520(11) 0.057(4) Uiso 1 1 d . . . . .
H10 H 0.676055 0.126846 0.427591 0.068 Uiso 1 1 calc R U . . .
C12 C 0.7555(13) 0.1974(6) 0.5773(15) 0.068(5) Uani 1 1 d . . . . .
C19 C 0.5450(18) 0.1225(5) 0.6254(11) 0.067(5) Uani 1 1 d . . . . .
H19 H 0.543886 0.141333 0.575921 0.081 Uiso 1 1 calc R U . . .
C21 C 0.4459(19) 0.0894(8) 0.7399(12) 0.080(7) Uani 1 1 d . . . . .
H21 H 0.386418 0.086592 0.766476 0.095 Uiso 1 1 calc R U . . .
C23 C 0.538(2) 0.0364(8) 0.8476(16) 0.099(8) Uani 1 1 d . . . . .
H23 H 0.478030 0.031837 0.873351 0.118 Uiso 1 1 calc R U . . .
C25 C 0.7281(18) 0.0211(7) 0.8425(13) 0.077(6) Uani 1 1 d . . . . .
C26 C 0.818(3) -0.0033(7) 0.8805(15) 0.108(9) Uani 1 1 d . . . . .
H26 H 0.822257 -0.022535 0.929695 0.130 Uiso 1 1 calc R U . . .
C29 C 0.6314(15) 0.0718(6) 0.7295(12) 0.057(5) Uani 1 1 d . . . . .
C30 C 0.7215(14) 0.0498(5) 0.7710(12) 0.051(4) Uani 1 1 d . . . . .
C31 C 0.6636(14) 0.0316(6) 0.4955(13) 0.074(6) Uani 1 1 d . . . . .
H31 H 0.608301 0.033556 0.527358 0.089 Uiso 1 1 calc R U . . .
C32 C 0.6514(17) 0.0023(6) 0.4182(12) 0.082(6) Uiso 1 1 d . . . . .
H32 H 0.587962 -0.013161 0.397456 0.099 Uiso 1 1 calc R U . . .
C34 C 0.8253(14) 0.0216(7) 0.4064(15) 0.083(7) Uani 1 1 d . . . . .
C36 C 1.0031(15) 0.0418(7) 0.3943(15) 0.093(7) Uani 1 1 d . . . . .
H36 H 1.060380 0.038647 0.365114 0.112 Uiso 1 1 calc R U . . .
C38 C 1.1048(15) 0.0969(7) 0.5128(17) 0.098(7) Uani 1 1 d . . . . .
H38 H 1.165554 0.095450 0.487582 0.118 Uiso 1 1 calc R U . . .
C39 C 1.1067(15) 0.1233(7) 0.5885(13) 0.077(6) Uani 1 1 d . . . . .
H39 H 1.166003 0.139868 0.616299 0.092 Uiso 1 1 calc R U . . .
C40 C 1.0175(17) 0.1225(6) 0.6168(11) 0.079(6) Uani 1 1 d . . . . .
H40 H 1.017353 0.140170 0.667809 0.094 Uiso 1 1 calc R U . . .
C41 C 0.9282(14) 0.0754(6) 0.5124(10) 0.054(4) Uani 1 1 d . . . . .
C42 C 0.8228(15) 0.0484(6) 0.4775(12) 0.065(5) Uani 1 1 d . . . . .
N1 N 0.8147(11) 0.1570(4) 0.7140(10) 0.053(4) Uani 1 1 d . . . . .
N2 N 0.7336(9) 0.1566(4) 0.5340(9) 0.058(4) Uani 1 1 d . . . . .
N3 N 0.6330(11) 0.1006(4) 0.6617(9) 0.050(3) Uani 1 1 d . . . . .
N4 N 0.8053(12) 0.0562(4) 0.7243(9) 0.066(4) Uani 1 1 d . . . . .
N5 N 0.7465(11) 0.0547(4) 0.5215(8) 0.046(3) Uani 1 1 d . . . . .
N6 N 0.9236(10) 0.1006(4) 0.5857(8) 0.053(3) Uani 1 1 d . . . . .
N7 N 0.8694(13) 0.2763(5) 0.8562(12) 0.103(6) Uani 1 1 d . . . . .
H7 H 0.846629 0.301778 0.832767 0.123 Uiso 1 1 calc R U . . .
N8 N 0.6718(15) 0.2711(6) 0.3807(12) 0.108(6) Uani 1 1 d . . . . .
H8 H 0.684986 0.295897 0.410332 0.130 Uiso 1 1 calc R U . . .
P1 P 0.8564(6) 0.4124(2) 0.8461(5) 0.095(2) Uani 1 1 d . . . . .
Ru1 Ru 0.77525(11) 0.10275(4) 0.62425(9) 0.0597(6) Uani 1 1 d . . . . .
F1 F 0.7553(12) 0.4444(5) 0.8446(11) 0.160(6) Uani 1 1 d . . . . .
F2 F 0.8893(19) 0.4187(11) 0.9438(10) 0.355(19) Uani 1 1 d . U . . .
F5 F 0.9181(16) 0.4535(7) 0.8197(18) 0.269(13) 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
C2 C1 1.29(2) . ?
C2 C3 1.44(2) . ?
C6 C5 1.30(2) . ?
C6 C7 1.47(2) . ?
C11 N1 1.336(19) . ?
C11 C4 1.37(2) . ?
C11 C12 1.45(2) . ?
C14 C15 1.48(6) . ?
C14 N7 1.72(3) . ?
C15 O1 1.40(3) . ?
C17 C18 1.35(3) . ?
C17 N8 1.48(2) . ?
C17 O2 2.02(3) . ?
C18 O2 1.477(19) . ?
C20 C21 1.33(3) . ?
C20 C19 1.63(3) . ?
C22 C23 1.35(2) . ?
C22 C21 1.40(3) . ?
C22 C29 1.53(2) . ?
C24 C23 1.24(3) . ?
C24 C25 1.51(3) . ?
C27 C26 1.43(3) . ?
C27 C28 1.45(3) . ?
C28 N4 1.41(2) . ?
C33 C32 1.25(2) . ?
C33 C34 1.39(2) . ?
C35 C34 1.32(3) . ?
C35 C36 1.46(3) . ?
C37 C41 1.34(2) . ?
C37 C38 1.44(2) . ?
C37 C36 1.45(2) . ?
P2 F7 1.515(15) . ?
P2 F8 1.543(16) . ?
P2 F9 1.539(14) . ?
P2 F11 1.545(15) . ?
P2 F12 1.561(15) . ?
P2 F10 1.576(18) . ?
F3 P1 1.489(14) . ?
F4 P1 1.582(17) . ?
F6 P1 1.523(18) . ?
C1 N1 1.290(18) . ?
C3 C4 1.31(2) . ?
C3 N7 1.373(19) . ?
C4 C5 1.56(2) . ?
C7 C12 1.45(2) . ?
C7 C8 1.49(2) . ?
C8 N8 1.30(2) . ?
C8 C9 1.34(2) . ?
C9 C10 1.40(2) . ?
C10 N2 1.239(17) . ?
C12 N2 1.377(18) . ?
C19 N3 1.32(2) . ?
C25 C30 1.36(2) . ?
C25 C26 1.38(3) . ?
C29 N3 1.337(19) . ?
C29 C30 1.36(2) . ?
C30 N4 1.405(19) . ?
C31 N5 1.257(18) . ?
C31 C32 1.44(2) . ?
C34 C42 1.34(2) . ?
C38 C39 1.38(2) . ?
C39 C40 1.29(2) . ?
C40 N6 1.36(2) . ?
C41 N6 1.345(18) . ?
C41 C42 1.56(2) . ?
C42 N5 1.30(2) . ?
N1 Ru1 2.099(12) . ?
N2 Ru1 2.096(12) . ?
N3 Ru1 2.006(13) . ?
N4 Ru1 2.025(14) . ?
N5 Ru1 2.084(11) . ?
N6 Ru1 2.089(13) . ?
P1 F2 1.459(15) . ?
P1 F5 1.546(19) . ?
P1 F1 1.598(14) . ?

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
C1 C2 C3 121(2) . . ?
C5 C6 C7 120.6(18) . . ?
N1 C11 C4 125.5(16) . . ?
N1 C11 C12 117.1(16) . . ?
C4 C11 C12 117.4(18) . . ?
C15 C14 N7 92(3) . . ?
O1 C15 C14 101(3) . . ?
C18 C17 N8 140(2) . . ?
C18 C17 O2 47.0(12) . . ?
N8 C17 O2 105.3(17) . . ?
C17 C18 O2 91(3) . . ?
C21 C20 C19 117(2) . . ?
C23 C22 C21 121(2) . . ?
C23 C22 C29 125(2) . . ?
C21 C22 C29 114.2(18) . . ?
C23 C24 C25 130(2) . . ?
C26 C27 C28 127(2) . . ?
N4 C28 C27 115.9(19) . . ?
C32 C33 C34 124(2) . . ?
C34 C35 C36 118.5(18) . . ?
C41 C37 C38 115.2(18) . . ?
C41 C37 C36 118.5(19) . . ?
C38 C37 C36 126.2(19) . . ?
C18 O2 C17 42.1(17) . . ?
F7 P2 F8 83.0(11) . . ?
F7 P2 F9 176.8(12) . . ?
F8 P2 F9 93.8(10) . . ?
F7 P2 F11 92.1(13) . . ?
F8 P2 F11 85.5(11) . . ?
F9 P2 F11 88.3(10) . . ?
F7 P2 F12 89.8(13) . . ?
F8 P2 F12 93.4(12) . . ?
F9 P2 F12 89.7(11) . . ?
F11 P2 F12 177.7(12) . . ?
F7 P2 F10 88.4(12) . . ?
F8 P2 F10 170.9(11) . . ?
F9 P2 F10 94.8(12) . . ?
F11 P2 F10 91.9(13) . . ?
F12 P2 F10 89.5(13) . . ?
N1 C1 C2 123.9(19) . . ?
C4 C3 N7 125.0(17) . . ?
C4 C3 C2 115.7(17) . . ?
N7 C3 C2 119.1(17) . . ?
C3 C4 C11 117.7(18) . . ?
C3 C4 C5 123.3(17) . . ?
C11 C4 C5 118.7(16) . . ?
C6 C5 C4 122.3(17) . . ?
C12 C7 C6 116.5(16) . . ?
C12 C7 C8 118.9(16) . . ?
C6 C7 C8 124.4(17) . . ?
N8 C8 C9 127.8(17) . . ?
N8 C8 C7 115.1(19) . . ?
C9 C8 C7 116.1(15) . . ?
C8 C9 C10 119.3(15) . . ?
N2 C10 C9 127.3(16) . . ?
N2 C12 C7 117.6(17) . . ?
N2 C12 C11 118.2(17) . . ?
C7 C12 C11 124.2(16) . . ?
N3 C19 C20 119.3(16) . . ?
C20 C21 C22 124(2) . . ?
C24 C23 C22 114(2) . . ?
C30 C25 C26 125(2) . . ?
C30 C25 C24 112.5(19) . . ?
C26 C25 C24 123(2) . . ?
C25 C26 C27 112(2) . . ?
N3 C29 C30 121.2(16) . . ?
N3 C29 C22 125.2(17) . . ?
C30 C29 C22 112.9(17) . . ?
C25 C30 C29 125.2(18) . . ?
C25 C30 N4 123.0(16) . . ?
C29 C30 N4 111.3(16) . . ?
N5 C31 C32 122.1(16) . . ?
C33 C32 C31 117(2) . . ?
C35 C34 C42 127(2) . . ?
C35 C34 C33 121(2) . . ?
C42 C34 C33 111.3(18) . . ?
C35 C36 C37 119.9(18) . . ?
C39 C38 C37 122.0(18) . . ?
C40 C39 C38 113(2) . . ?
C39 C40 N6 131.8(18) . . ?
C37 C41 N6 126.3(17) . . ?
C37 C41 C42 121.0(17) . . ?
N6 C41 C42 112.7(16) . . ?
N5 C42 C34 129.3(17) . . ?
N5 C42 C41 116.0(16) . . ?
C34 C42 C41 114.7(17) . . ?
C1 N1 C11 115.3(15) . . ?
C1 N1 Ru1 131.4(13) . . ?
C11 N1 Ru1 113.3(11) . . ?
C10 N2 C12 120.3(16) . . ?
C10 N2 Ru1 128.5(12) . . ?
C12 N2 Ru1 111.2(11) . . ?
C19 N3 C29 119.4(15) . . ?
C19 N3 Ru1 127.8(12) . . ?
C29 N3 Ru1 112.7(12) . . ?
C28 N4 C30 117.7(15) . . ?
C28 N4 Ru1 127.2(13) . . ?
C30 N4 Ru1 114.4(11) . . ?
C31 N5 C42 115.8(14) . . ?
C31 N5 Ru1 128.2(12) . . ?
C42 N5 Ru1 116.1(12) . . ?
C41 N6 C40 111.7(15) . . ?
C41 N6 Ru1 115.8(11) . . ?
C40 N6 Ru1 132.3(12) . . ?
C3 N7 C14 122.3(18) . . ?
C8 N8 C17 123.0(16) . . ?
F2 P1 F3 85.8(12) . . ?
F2 P1 F6 104.5(16) . . ?
F3 P1 F6 89.6(10) . . ?
F2 P1 F5 95.7(17) . . ?
F3 P1 F5 93.2(11) . . ?
F6 P1 F5 159.8(13) . . ?
F2 P1 F4 174.2(16) . . ?
F3 P1 F4 98.4(12) . . ?
F6 P1 F4 79.6(11) . . ?
F5 P1 F4 80.1(12) . . ?
F2 P1 F1 90.5(10) . . ?
F3 P1 F1 175.9(11) . . ?
F6 P1 F1 89.7(10) . . ?
F5 P1 F1 88.8(10) . . ?
F4 P1 F1 85.4(10) . . ?
N3 Ru1 N4 79.5(6) . . ?
N3 Ru1 N6 176.4(5) . . ?
N4 Ru1 N6 97.9(6) . . ?
N3 Ru1 N5 98.7(5) . . ?
N4 Ru1 N5 93.7(5) . . ?
N6 Ru1 N5 78.9(5) . . ?
N3 Ru1 N1 87.6(4) . . ?
N4 Ru1 N1 93.4(5) . . ?
N6 Ru1 N1 95.1(5) . . ?
N5 Ru1 N1 171.3(5) . . ?
N3 Ru1 N2 94.5(5) . . ?
N4 Ru1 N2 171.5(5) . . ?
N6 Ru1 N2 88.3(5) . . ?
N5 Ru1 N2 93.2(5) . . ?
N1 Ru1 N2 80.3(5) . . ?

_refine_diff_density_max         2.099
_refine_diff_density_min         -0.821
_refine_diff_density_rms         0.259



_exptl_crystal_preparation       Luminescent
