# Supplementary Information (SI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2024

####################################################################### 
# 
# 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_jlak1
_database_code_depnum_ccdc_archive 'CCDC 2356150'
loop_
_audit_author_name
_audit_author_address
'James Luk'
;University of St Andrews
United Kingdom
;
_audit_update_record             
;
2024-05-17 deposited with the CCDC.	2024-09-03 downloaded from the CCDC.
;
_audit_creation_date             2024-02-27
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            'Ruthenium MACHO-(N-phenylformamide)'
_chemical_name_systematic        
carbonyl-hydrido-(bis(2-(diphenylphosphino)ethyl)amine)-(N-phenylformamide)-ruthenium
_chemical_formula_moiety         'C36 H36 N2 O2 P2 Ru'
_chemical_formula_sum            'C36 H36 N2 O2 P2 Ru'
_chemical_formula_weight         691.68
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C37 H39 N2 O2 P2 Ru'
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'

_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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   9.3455(3)
_cell_length_b                   12.3580(3)
_cell_length_c                   14.8848(3)
_cell_angle_alpha                108.452(2)
_cell_angle_beta                 92.030(2)
_cell_angle_gamma                97.599(2)
_cell_volume                     1610.90(8)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    10429
_cell_measurement_temperature    173.15
_cell_measurement_theta_max      24.8950
_cell_measurement_theta_min      1.7520
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.621
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.88687
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.42.93a (Rigaku Oxford Diffraction, 2023)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'Pale yellow/brown'
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.426
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             712
_exptl_crystal_size_max          0.05
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.02
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0565
_diffrn_reflns_av_unetI/netI     0.0781
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.842
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            35066
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.842
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.517
_diffrn_reflns_theta_min         1.757
_diffrn_ambient_temperature      173.15
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 5.8140
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.842
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -85.00  93.00   0.50   95.00    --    4.40  45.00 176.88  356
  2  ω   -100.00  78.00   0.50   95.00    --  -10.90  45.00 179.52  356
  3  ω    -14.00  69.00   0.50   95.00    --  -10.90  45.00 -18.21  166
  4  ω    -76.00 -49.00   0.50   95.00    --  -10.90  45.00  90.00   54
  5  ω    -18.00  77.00   0.50   95.00    --  -10.90  45.00  90.00  190
  6  ω    -52.00  72.00   0.50   95.00    --  -10.90  45.00  30.00  248
  7  ω   -100.00  75.00   0.50   95.00    --  -10.90  45.00 150.00  350
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC10 (RCD3): fixed-chi single'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0631887000
_diffrn_orient_matrix_UB_12      0.0131740000
_diffrn_orient_matrix_UB_13      -0.0195451000
_diffrn_orient_matrix_UB_21      0.0410255000
_diffrn_orient_matrix_UB_22      0.0497874000
_diffrn_orient_matrix_UB_23      -0.0053992000
_diffrn_orient_matrix_UB_31      0.0150658000
_diffrn_orient_matrix_UB_32      -0.0330839000
_diffrn_orient_matrix_UB_33      -0.0461476000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Rotating-anode 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                5745
_reflns_number_total             7555
_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 1.171.42.93a (Rigaku OD, 2023)'
_computing_data_collection       'CrysAlisPro 1.171.42.93a (Rigaku OD, 2023)'
_computing_data_reduction        'CrysAlisPro 1.171.42.93a (Rigaku OD, 2023)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.404
_refine_diff_density_min         -0.557
_refine_diff_density_rms         0.097
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     396
_refine_ls_number_reflns         7555
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0850
_refine_ls_R_factor_gt           0.0522
_refine_ls_restrained_S_all      1.028
_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)+(0.0526P)²+0.5263P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0942
_refine_ls_wR_factor_ref         0.1017
_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:
 C00C(H00A,H00B), C00K(H00C,H00I), C00L(H00K,H00L), C00N(H00N,H00O)
2.b Aromatic/amide H refined with riding coordinates:
 C00D(H00D), C00E(H00E), C00F(H00F), C00G(H00G), C00H(H00H), C00J(H00J),
 C00M(H00M), C00O(H00P), C00Q(H00Q), C00R(H00R), C00S(H00S), C00T(H00T),
 C00U(H00U), C00V(H00V), C00W(H00W), C00X(H00X), C00Y(H00Y), C00Z(H00Z),
 C010(H010), C011(H011), C012(H012), C013(H013), C014(H014), C015(H015),
 C016(H016), C017(H017)
;
_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
Ru01 Ru 0.63159(3) 0.37436(2) 0.78290(2) 0.02055(9) Uani 1 1 d . . . . .
P002 P 0.62552(8) 0.22609(7) 0.84587(5) 0.02283(18) Uani 1 1 d . . . . .
P003 P 0.64991(8) 0.55639(7) 0.76673(6) 0.02296(18) Uani 1 1 d . . . . .
O004 O 1.0054(2) 0.4094(2) 0.83133(16) 0.0443(6) Uani 1 1 d . . . . .
O005 O 0.4068(3) 0.2454(2) 0.62332(17) 0.0435(6) Uani 1 1 d . . . . .
N006 N 0.7611(3) 0.4705(2) 0.91639(18) 0.0240(6) Uani 1 1 d . . . . .
N007 N 0.8308(3) 0.3279(2) 0.70690(17) 0.0245(6) Uani 1 1 d . . . . .
C008 C 0.7278(3) 0.5881(2) 0.6651(2) 0.0241(7) Uani 1 1 d . . . . .
C009 C 0.4916(3) 0.6309(3) 0.7794(2) 0.0247(7) Uani 1 1 d . . . . .
C00A C 0.6389(4) 0.5923(3) 0.5904(2) 0.0324(8) Uani 1 1 d . . . . .
H00A H 0.537130 0.587019 0.594626 0.039 Uiso 1 1 calc R U . . .
C00B C 0.4534(3) 0.1711(2) 0.8830(2) 0.0257(7) Uani 1 1 d . . . . .
C00C C 0.8135(3) 0.2569(3) 0.6095(2) 0.0268(7) Uani 1 1 d . . . . .
C00D C 0.3552(3) 0.5737(3) 0.7808(2) 0.0300(7) Uani 1 1 d . . . . .
H00D H 0.342701 0.494373 0.775752 0.036 Uiso 1 1 calc R U . . .
C00E C 0.6887(3) 0.0914(3) 0.7810(2) 0.0278(7) Uani 1 1 d . . . . .
C00F C 0.7364(4) 0.2899(3) 0.5430(2) 0.0313(7) Uani 1 1 d . . . . .
H00F H 0.697360 0.360146 0.562818 0.038 Uiso 1 1 calc R U . . .
C00G C 0.7508(4) 0.5956(3) 0.9503(2) 0.0304(7) Uani 1 1 d . . . . .
H00B H 0.824088 0.636211 1.004135 0.036 Uiso 1 1 calc R U . . .
H00C H 0.653682 0.607350 0.972530 0.036 Uiso 1 1 calc R U . . .
C00H C 0.2520(4) 0.7459(3) 0.7968(2) 0.0377(9) Uani 1 1 d . . . . .
H00H H 0.169684 0.784485 0.802689 0.045 Uiso 1 1 calc R U . . .
C00I C 0.3873(4) 0.8051(3) 0.7954(2) 0.0344(8) Uani 1 1 d . . . . .
H00I H 0.398457 0.884464 0.800608 0.041 Uiso 1 1 calc R U . . .
C00J C 0.7488(4) 0.2914(3) 0.9538(2) 0.0321(8) Uani 1 1 d . . . . .
H00E H 0.722793 0.253312 1.001570 0.038 Uiso 1 1 calc R U . . .
H00G H 0.849691 0.281833 0.938815 0.038 Uiso 1 1 calc R U . . .
C00K C 0.5072(4) 0.7481(3) 0.7864(2) 0.0313(7) Uani 1 1 d . . . . .
H00K H 0.600372 0.788561 0.784968 0.038 Uiso 1 1 calc R U . . .
C00L C 0.9639(4) 0.3513(3) 0.7461(2) 0.0332(8) Uani 1 1 d . . . . .
H00L H 1.036361 0.321380 0.706314 0.040 Uiso 1 1 calc R U . . .
C00M C 0.4478(4) 0.1223(3) 0.9556(2) 0.0340(8) Uani 1 1 d . . . . .
H00M H 0.534937 0.121307 0.989997 0.041 Uiso 1 1 calc R U . . .
C00N C 0.7762(4) 0.6437(3) 0.8695(2) 0.0307(7) Uani 1 1 d . . . . .
H00J H 0.877401 0.640897 0.852473 0.037 Uiso 1 1 calc R U . . .
H00N H 0.759688 0.725172 0.889066 0.037 Uiso 1 1 calc R U . . .
C00O C 0.7356(4) 0.4190(3) 0.9927(2) 0.0311(7) Uani 1 1 d . . . . .
H00O H 0.637684 0.428477 1.014403 0.037 Uiso 1 1 calc R U . . .
H00P H 0.807666 0.458247 1.047556 0.037 Uiso 1 1 calc R U . . .
C00P C 0.8758(4) 0.5957(3) 0.6567(3) 0.0354(8) Uani 1 1 d . . . . .
H00Q H 0.938129 0.590783 0.706652 0.043 Uiso 1 1 calc R U . . .
C00Q C 0.2358(4) 0.6313(3) 0.7897(2) 0.0363(8) Uani 1 1 d . . . . .
H00R H 0.142259 0.591081 0.790775 0.044 Uiso 1 1 calc R U . . .
C00R C 0.1907(4) 0.0760(3) 0.9286(3) 0.0421(9) Uani 1 1 d . . . . .
H00S H 0.100973 0.042453 0.943331 0.051 Uiso 1 1 calc R U . . .
C00S C 0.3251(4) 0.1735(3) 0.8357(2) 0.0391(9) Uani 1 1 d . . . . .
H00T H 0.326687 0.208705 0.787473 0.047 Uiso 1 1 calc R U . . .
C00T C 0.4987(3) 0.2956(3) 0.6820(2) 0.0278(7) Uani 1 1 d . . . . .
C00U C 0.8015(4) 0.0492(3) 0.8153(3) 0.0385(9) Uani 1 1 d . . . . .
H00U H 0.846508 0.088624 0.877387 0.046 Uiso 1 1 calc R U . . .
C00V C 0.6225(4) 0.0298(3) 0.6906(3) 0.0405(9) Uani 1 1 d . . . . .
H00V H 0.543841 0.056482 0.666138 0.049 Uiso 1 1 calc R U . . .
C00W C 0.7161(4) 0.2215(3) 0.4486(2) 0.0420(9) Uani 1 1 d . . . . .
H00W H 0.663114 0.245116 0.404321 0.050 Uiso 1 1 calc R U . . .
C00X C 0.3175(4) 0.0754(3) 0.9779(3) 0.0415(9) Uani 1 1 d . . . . .
H00X H 0.315116 0.042516 1.027640 0.050 Uiso 1 1 calc R U . . .
C00Y C 0.8681(4) 0.1534(3) 0.5785(3) 0.0421(9) Uani 1 1 d . . . . .
H00Y H 0.919203 0.128351 0.622652 0.051 Uiso 1 1 calc R U . . .
C00Z C 0.8440(5) 0.6140(3) 0.5026(3) 0.0500(11) Uani 1 1 d . . . . .
H00Z H 0.883741 0.623428 0.447243 0.060 Uiso 1 1 calc R U . . .
C010 C 0.9334(4) 0.6102(3) 0.5764(3) 0.0476(10) Uani 1 1 d . . . . .
H010 H 1.035218 0.617504 0.572132 0.057 Uiso 1 1 calc R U . . .
C011 C 0.6984(5) 0.6043(3) 0.5091(3) 0.0452(9) Uani 1 1 d . . . . .
H011 H 0.636587 0.605793 0.457540 0.054 Uiso 1 1 calc R U . . .
C012 C 0.8490(4) -0.0500(3) 0.7597(3) 0.0502(11) Uani 1 1 d . . . . .
H012 H 0.926702 -0.077974 0.783886 0.060 Uiso 1 1 calc R U . . .
C013 C 0.1943(4) 0.1256(3) 0.8573(3) 0.0470(10) Uani 1 1 d . . . . .
H013 H 0.106922 0.126780 0.823272 0.056 Uiso 1 1 calc R U . . .
C014 C 0.6702(5) -0.0696(3) 0.6363(3) 0.0514(10) Uani 1 1 d . . . . .
H014 H 0.623170 -0.111603 0.575224 0.062 Uiso 1 1 calc R U . . .
C015 C 0.7720(4) 0.1196(4) 0.4183(3) 0.0505(10) Uani 1 1 d . . . . .
H015 H 0.757864 0.072975 0.353305 0.061 Uiso 1 1 calc R U . . .
C016 C 0.8484(5) 0.0859(3) 0.4827(3) 0.0543(11) Uani 1 1 d . . . . .
H016 H 0.888153 0.016041 0.462012 0.065 Uiso 1 1 calc R U . . .
C017 C 0.7852(4) -0.1083(3) 0.6701(3) 0.0529(11) Uani 1 1 d . . . . .
H017 H 0.820296 -0.175072 0.631592 0.063 Uiso 1 1 calc R U . . .
H H 0.504(4) 0.396(4) 0.824(3) 0.071(13) Uiso 1 1 d . . . . .
H006 H 0.844(3) 0.468(2) 0.905(2) 0.009(8) Uiso 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
Ru01 P002 2.3027(8) . ?
Ru01 P003 2.3220(8) . ?
Ru01 N006 2.186(3) . ?
Ru01 N007 2.257(2) . ?
Ru01 C00T 1.835(3) . ?
Ru01 H 1.38(4) . ?
P002 C00B 1.835(3) . ?
P002 C00E 1.826(3) . ?
P002 C00J 1.833(3) . ?
P003 C008 1.830(3) . ?
P003 C009 1.828(3) . ?
P003 C00N 1.841(3) . ?
O004 C00L 1.261(4) . ?
O005 C00T 1.161(4) . ?
N006 C00G 1.483(4) . ?
N006 C00O 1.479(4) . ?
N006 H006 0.80(3) . ?
N007 C00C 1.427(4) . ?
N007 C00L 1.311(4) . ?
C008 C00A 1.383(4) . ?
C008 C00P 1.387(4) . ?
C009 C00D 1.378(4) . ?
C009 C00K 1.406(4) . ?
C00A H00A 0.9500 . ?
C00A C011 1.391(5) . ?
C00B C00M 1.393(4) . ?
C00B C00S 1.377(5) . ?
C00C C00F 1.396(4) . ?
C00C C00Y 1.387(5) . ?
C00D H00D 0.9500 . ?
C00D C00Q 1.389(4) . ?
C00E C00U 1.386(4) . ?
C00E C00V 1.393(5) . ?
C00F H00F 0.9500 . ?
C00F C00W 1.382(5) . ?
C00G H00B 0.9900 . ?
C00G H00C 0.9900 . ?
C00G C00N 1.513(4) . ?
C00H H00H 0.9500 . ?
C00H C00I 1.379(5) . ?
C00H C00Q 1.374(5) . ?
C00I H00I 0.9500 . ?
C00I C00K 1.389(5) . ?
C00J H00E 0.9900 . ?
C00J H00G 0.9900 . ?
C00J C00O 1.522(5) . ?
C00K H00K 0.9500 . ?
C00L H00L 0.9500 . ?
C00M H00M 0.9500 . ?
C00M C00X 1.376(5) . ?
C00N H00J 0.9900 . ?
C00N H00N 0.9900 . ?
C00O H00O 0.9900 . ?
C00O H00P 0.9900 . ?
C00P H00Q 0.9500 . ?
C00P C010 1.381(5) . ?
C00Q H00R 0.9500 . ?
C00R H00S 0.9500 . ?
C00R C00X 1.374(5) . ?
C00R C013 1.382(5) . ?
C00S H00T 0.9500 . ?
C00S C013 1.380(5) . ?
C00U H00U 0.9500 . ?
C00U C012 1.383(5) . ?
C00V H00V 0.9500 . ?
C00V C014 1.379(5) . ?
C00W H00W 0.9500 . ?
C00W C015 1.376(5) . ?
C00X H00X 0.9500 . ?
C00Y H00Y 0.9500 . ?
C00Y C016 1.396(5) . ?
C00Z H00Z 0.9500 . ?
C00Z C010 1.372(6) . ?
C00Z C011 1.360(6) . ?
C010 H010 0.9500 . ?
C011 H011 0.9500 . ?
C012 H012 0.9500 . ?
C012 C017 1.369(6) . ?
C013 H013 0.9500 . ?
C014 H014 0.9500 . ?
C014 C017 1.374(6) . ?
C015 H015 0.9500 . ?
C015 C016 1.374(5) . ?
C016 H016 0.9500 . ?
C017 H017 0.9500 . ?

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
P002 Ru01 P003 162.96(3) . . ?
P002 Ru01 H 86.6(17) . . ?
P003 Ru01 H 87.1(17) . . ?
N006 Ru01 P002 82.22(7) . . ?
N006 Ru01 P003 82.20(7) . . ?
N006 Ru01 N007 92.02(10) . . ?
N006 Ru01 H 91.9(17) . . ?
N007 Ru01 P002 92.39(6) . . ?
N007 Ru01 P003 95.00(6) . . ?
N007 Ru01 H 175.7(17) . . ?
C00T Ru01 P002 95.53(9) . . ?
C00T Ru01 P003 98.83(9) . . ?
C00T Ru01 N006 171.12(12) . . ?
C00T Ru01 N007 96.66(12) . . ?
C00T Ru01 H 79.3(18) . . ?
C00B P002 Ru01 118.82(10) . . ?
C00E P002 Ru01 120.80(10) . . ?
C00E P002 C00B 100.96(14) . . ?
C00E P002 C00J 106.03(15) . . ?
C00J P002 Ru01 102.37(10) . . ?
C00J P002 C00B 106.66(15) . . ?
C008 P003 Ru01 122.25(10) . . ?
C008 P003 C00N 104.54(15) . . ?
C009 P003 Ru01 119.88(10) . . ?
C009 P003 C008 101.73(13) . . ?
C009 P003 C00N 104.34(15) . . ?
C00N P003 Ru01 101.88(10) . . ?
Ru01 N006 H006 106(2) . . ?
C00G N006 Ru01 113.88(18) . . ?
C00G N006 H006 104(2) . . ?
C00O N006 Ru01 113.55(19) . . ?
C00O N006 C00G 111.2(2) . . ?
C00O N006 H006 107(2) . . ?
C00C N007 Ru01 118.94(19) . . ?
C00L N007 Ru01 125.9(2) . . ?
C00L N007 C00C 114.9(3) . . ?
C00A C008 P003 120.4(2) . . ?
C00A C008 C00P 118.6(3) . . ?
C00P C008 P003 120.6(2) . . ?
C00D C009 P003 121.1(2) . . ?
C00D C009 C00K 118.7(3) . . ?
C00K C009 P003 120.2(2) . . ?
C008 C00A H00A 120.0 . . ?
C008 C00A C011 120.0(3) . . ?
C011 C00A H00A 120.0 . . ?
C00M C00B P002 122.1(2) . . ?
C00S C00B P002 119.5(2) . . ?
C00S C00B C00M 118.4(3) . . ?
C00F C00C N007 119.7(3) . . ?
C00Y C00C N007 122.0(3) . . ?
C00Y C00C C00F 118.2(3) . . ?
C009 C00D H00D 119.8 . . ?
C009 C00D C00Q 120.4(3) . . ?
C00Q C00D H00D 119.8 . . ?
C00U C00E P002 123.7(3) . . ?
C00U C00E C00V 118.3(3) . . ?
C00V C00E P002 117.9(2) . . ?
C00C C00F H00F 119.6 . . ?
C00W C00F C00C 120.7(3) . . ?
C00W C00F H00F 119.6 . . ?
N006 C00G H00B 109.9 . . ?
N006 C00G H00C 109.9 . . ?
N006 C00G C00N 109.1(3) . . ?
H00B C00G H00C 108.3 . . ?
C00N C00G H00B 109.9 . . ?
C00N C00G H00C 109.9 . . ?
C00I C00H H00H 119.9 . . ?
C00Q C00H H00H 119.9 . . ?
C00Q C00H C00I 120.3(3) . . ?
C00H C00I H00I 120.2 . . ?
C00H C00I C00K 119.6(3) . . ?
C00K C00I H00I 120.2 . . ?
P002 C00J H00E 110.1 . . ?
P002 C00J H00G 110.1 . . ?
H00E C00J H00G 108.4 . . ?
C00O C00J P002 108.1(2) . . ?
C00O C00J H00E 110.1 . . ?
C00O C00J H00G 110.1 . . ?
C009 C00K H00K 119.7 . . ?
C00I C00K C009 120.5(3) . . ?
C00I C00K H00K 119.7 . . ?
O004 C00L N007 126.6(3) . . ?
O004 C00L H00L 116.7 . . ?
N007 C00L H00L 116.7 . . ?
C00B C00M H00M 119.6 . . ?
C00X C00M C00B 120.7(3) . . ?
C00X C00M H00M 119.6 . . ?
P003 C00N H00J 110.0 . . ?
P003 C00N H00N 110.0 . . ?
C00G C00N P003 108.5(2) . . ?
C00G C00N H00J 110.0 . . ?
C00G C00N H00N 110.0 . . ?
H00J C00N H00N 108.4 . . ?
N006 C00O C00J 108.6(3) . . ?
N006 C00O H00O 110.0 . . ?
N006 C00O H00P 110.0 . . ?
C00J C00O H00O 110.0 . . ?
C00J C00O H00P 110.0 . . ?
H00O C00O H00P 108.4 . . ?
C008 C00P H00Q 119.7 . . ?
C010 C00P C008 120.6(3) . . ?
C010 C00P H00Q 119.7 . . ?
C00D C00Q H00R 119.8 . . ?
C00H C00Q C00D 120.5(3) . . ?
C00H C00Q H00R 119.8 . . ?
C00X C00R H00S 120.1 . . ?
C00X C00R C013 119.7(3) . . ?
C013 C00R H00S 120.1 . . ?
C00B C00S H00T 119.5 . . ?
C00B C00S C013 121.1(3) . . ?
C013 C00S H00T 119.5 . . ?
O005 C00T Ru01 174.6(3) . . ?
C00E C00U H00U 119.8 . . ?
C012 C00U C00E 120.5(4) . . ?
C012 C00U H00U 119.8 . . ?
C00E C00V H00V 119.7 . . ?
C014 C00V C00E 120.5(3) . . ?
C014 C00V H00V 119.7 . . ?
C00F C00W H00W 119.7 . . ?
C015 C00W C00F 120.7(3) . . ?
C015 C00W H00W 119.7 . . ?
C00M C00X H00X 119.9 . . ?
C00R C00X C00M 120.2(3) . . ?
C00R C00X H00X 119.9 . . ?
C00C C00Y H00Y 119.8 . . ?
C00C C00Y C016 120.5(3) . . ?
C016 C00Y H00Y 119.8 . . ?
C010 C00Z H00Z 120.1 . . ?
C011 C00Z H00Z 120.1 . . ?
C011 C00Z C010 119.8(3) . . ?
C00P C010 H010 119.9 . . ?
C00Z C010 C00P 120.2(4) . . ?
C00Z C010 H010 119.9 . . ?
C00A C011 H011 119.7 . . ?
C00Z C011 C00A 120.7(4) . . ?
C00Z C011 H011 119.7 . . ?
C00U C012 H012 119.7 . . ?
C017 C012 C00U 120.6(4) . . ?
C017 C012 H012 119.7 . . ?
C00R C013 H013 120.1 . . ?
C00S C013 C00R 119.9(4) . . ?
C00S C013 H013 120.1 . . ?
C00V C014 H014 119.8 . . ?
C017 C014 C00V 120.4(4) . . ?
C017 C014 H014 119.8 . . ?
C00W C015 H015 120.3 . . ?
C016 C015 C00W 119.4(3) . . ?
C016 C015 H015 120.3 . . ?
C00Y C016 H016 119.7 . . ?
C015 C016 C00Y 120.5(3) . . ?
C015 C016 H016 119.7 . . ?
C012 C017 C014 119.6(4) . . ?
C012 C017 H017 120.2 . . ?
C014 C017 H017 120.2 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ru01 P002 C00B C00M -151.4(2) . . . . ?
Ru01 P002 C00B C00S 31.2(3) . . . . ?
Ru01 P002 C00E C00U 119.9(3) . . . . ?
Ru01 P002 C00E C00V -58.0(3) . . . . ?
Ru01 P002 C00J C00O 33.4(2) . . . . ?
Ru01 P003 C008 C00A 100.2(2) . . . . ?
Ru01 P003 C008 C00P -72.6(3) . . . . ?
Ru01 P003 C009 C00D -12.2(3) . . . . ?
Ru01 P003 C009 C00K 168.8(2) . . . . ?
Ru01 P003 C00N C00G -33.4(2) . . . . ?
Ru01 N006 C00G C00N -49.7(3) . . . . ?
Ru01 N006 C00O C00J 50.5(3) . . . . ?
Ru01 N007 C00C C00F 55.3(3) . . . . ?
Ru01 N007 C00C C00Y -123.0(3) . . . . ?
Ru01 N007 C00L O004 -4.6(5) . . . . ?
P002 C00B C00M C00X -176.0(3) . . . . ?
P002 C00B C00S C013 175.4(3) . . . . ?
P002 C00E C00U C012 -176.1(3) . . . . ?
P002 C00E C00V C014 176.9(3) . . . . ?
P002 C00J C00O N006 -54.3(3) . . . . ?
P003 C008 C00A C011 -173.2(3) . . . . ?
P003 C008 C00P C010 174.7(3) . . . . ?
P003 C009 C00D C00Q -179.4(2) . . . . ?
P003 C009 C00K C00I 179.6(2) . . . . ?
N006 C00G C00N P003 53.8(3) . . . . ?
N007 C00C C00F C00W -178.9(3) . . . . ?
N007 C00C C00Y C016 179.6(3) . . . . ?
C008 P003 C009 C00D 126.2(3) . . . . ?
C008 P003 C009 C00K -52.8(3) . . . . ?
C008 P003 C00N C00G -161.5(2) . . . . ?
C008 C00A C011 C00Z -1.1(5) . . . . ?
C008 C00P C010 C00Z -1.9(5) . . . . ?
C009 P003 C008 C00A -36.9(3) . . . . ?
C009 P003 C008 C00P 150.3(3) . . . . ?
C009 P003 C00N C00G 92.0(2) . . . . ?
C009 C00D C00Q C00H 0.2(5) . . . . ?
C00A C008 C00P C010 1.7(5) . . . . ?
C00B P002 C00E C00U -106.7(3) . . . . ?
C00B P002 C00E C00V 75.4(3) . . . . ?
C00B P002 C00J C00O -92.2(2) . . . . ?
C00B C00M C00X C00R 0.1(5) . . . . ?
C00B C00S C013 C00R 1.1(6) . . . . ?
C00C N007 C00L O004 -178.1(3) . . . . ?
C00C C00F C00W C015 -0.2(5) . . . . ?
C00C C00Y C016 C015 -1.4(6) . . . . ?
C00D C009 C00K C00I 0.6(5) . . . . ?
C00E P002 C00B C00M 74.0(3) . . . . ?
C00E P002 C00B C00S -103.4(3) . . . . ?
C00E P002 C00J C00O 160.8(2) . . . . ?
C00E C00U C012 C017 -0.2(5) . . . . ?
C00E C00V C014 C017 -1.0(6) . . . . ?
C00F C00C C00Y C016 1.3(5) . . . . ?
C00F C00W C015 C016 0.1(6) . . . . ?
C00G N006 C00O C00J -179.6(2) . . . . ?
C00H C00I C00K C009 -0.5(5) . . . . ?
C00I C00H C00Q C00D -0.1(5) . . . . ?
C00J P002 C00B C00M -36.6(3) . . . . ?
C00J P002 C00B C00S 146.1(3) . . . . ?
C00J P002 C00E C00U 4.4(3) . . . . ?
C00J P002 C00E C00V -173.5(3) . . . . ?
C00K C009 C00D C00Q -0.4(5) . . . . ?
C00L N007 C00C C00F -130.8(3) . . . . ?
C00L N007 C00C C00Y 51.0(4) . . . . ?
C00M C00B C00S C013 -2.0(5) . . . . ?
C00N P003 C008 C00A -145.2(3) . . . . ?
C00N P003 C008 C00P 41.9(3) . . . . ?
C00N P003 C009 C00D -125.3(3) . . . . ?
C00N P003 C009 C00K 55.8(3) . . . . ?
C00O N006 C00G C00N -179.5(3) . . . . ?
C00P C008 C00A C011 -0.2(5) . . . . ?
C00Q C00H C00I C00K 0.2(5) . . . . ?
C00S C00B C00M C00X 1.4(5) . . . . ?
C00U C00E C00V C014 -1.1(5) . . . . ?
C00U C012 C017 C014 -1.9(6) . . . . ?
C00V C00E C00U C012 1.7(5) . . . . ?
C00V C014 C017 C012 2.5(6) . . . . ?
C00W C015 C016 C00Y 0.7(6) . . . . ?
C00X C00R C013 C00S 0.5(6) . . . . ?
C00Y C00C C00F C00W -0.5(5) . . . . ?
C010 C00Z C011 C00A 1.0(6) . . . . ?
C011 C00Z C010 C00P 0.5(6) . . . . ?
C013 C00R C00X C00M -1.1(6) . . . . ?

_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 1.163
_oxdiff_exptl_absorpt_empirical_full_min 0.819
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: toluene/hexane'
####################################################################### 
# 
# 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_jlak2
_database_code_depnum_ccdc_archive 'CCDC 2356158'
loop_
_audit_author_name
_audit_author_address
'James Luk'
;University of St Andrews
United Kingdom
;
_audit_update_record             
;
2024-05-17 deposited with the CCDC.	2024-09-03 downloaded from the CCDC.
;
_audit_creation_date             2024-05-17
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        
'carbonyl-hydrido-(bis(2-(diphenylphosphino)ethyl)amine)-(N-benzylformamide)-ruthenium N-benzylformamide'
_chemical_formula_moiety         'C37 H38 N2 O2 P2 Ru, C8 H9 N O'
_chemical_formula_sum            'C45 H47 N3 O3 P2 Ru'
_chemical_formula_weight         840.86
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C36 H35 N2 O2 P2 Ru'
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'

_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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.3385(2)
_cell_length_b                   12.9630(2)
_cell_length_c                   15.3995(4)
_cell_angle_alpha                85.247(2)
_cell_angle_beta                 80.723(2)
_cell_angle_gamma                85.7580(10)
_cell_volume                     2025.95(7)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    14159
_cell_measurement_temperature    173.15
_cell_measurement_theta_max      27.4190
_cell_measurement_theta_min      1.5610
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.510
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.80387
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.42.93a (Rigaku Oxford Diffraction, 2023)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.378
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             872
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0523
_diffrn_reflns_av_unetI/netI     0.0647
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.841
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            44155
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.841
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.456
_diffrn_reflns_theta_min         1.579
_diffrn_ambient_temperature      173.15
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 5.8140
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.841
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -85.00  93.00   0.50   42.00    --    4.40  45.00 178.65  356
  2  ω     57.00  93.00   0.50   42.00    --    4.40  45.00   0.00   72
  3  ω     39.00  78.00   0.50   42.00    --  -10.90  45.00 150.00   78
  4  ω     33.00  73.00   0.50   42.00    --  -10.90  45.00  30.00   80
  5  ω     23.00  64.00   0.50   42.00    --  -10.90  45.00  90.00   82
  6  ω   -100.00  19.00   0.50   42.00    --  -10.90  45.00  30.00  238
  7  ω   -100.00 -52.00   0.50   42.00    --  -10.90  45.00 150.00   96
  8  ω    -75.00 -49.00   0.50   42.00    --  -10.90  45.00  60.00   52
  9  ω     -2.00  63.00   0.50   42.00    --  -10.90  45.00  60.00  130
 10  ω    -95.00 -69.00   0.50   42.00    --  -10.90  45.00 120.00   52
 11  ω    -66.00 -31.00   0.50   42.00    --  -10.90  45.00 120.00   70
 12  ω     53.00  78.00   0.50   42.00    --  -10.90  45.00 120.00   50
 13  ω   -100.00  78.00   0.50   42.00    --  -10.90  45.00 -16.62  356
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC10 (RCD3): fixed-chi single'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0047409000
_diffrn_orient_matrix_UB_12      -0.0032093000
_diffrn_orient_matrix_UB_13      -0.0461744000
_diffrn_orient_matrix_UB_21      -0.0342690000
_diffrn_orient_matrix_UB_22      -0.0461262000
_diffrn_orient_matrix_UB_23      0.0075606000
_diffrn_orient_matrix_UB_31      -0.0604499000
_diffrn_orient_matrix_UB_32      0.0298032000
_diffrn_orient_matrix_UB_33      0.0005052000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Rotating-anode 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                7401
_reflns_number_total             9459
_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 1.171.42.93a (Rigaku OD, 2023)'
_computing_data_collection       'CrysAlisPro 1.171.42.93a (Rigaku OD, 2023)'
_computing_data_reduction        'CrysAlisPro 1.171.42.93a (Rigaku OD, 2023)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.709
_refine_diff_density_min         -0.506
_refine_diff_density_rms         0.075
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.015
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     491
_refine_ls_number_reflns         9459
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0652
_refine_ls_R_factor_gt           0.0406
_refine_ls_restrained_S_all      1.015
_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)+(0.0358P)²+0.7138P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0751
_refine_ls_wR_factor_ref         0.0801
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All N(H) groups
2.a Ternary CH refined with riding coordinates:
 N1(H1)
2.b Secondary CH2 refined with riding coordinates:
 C2(H2A,H2B), C3(H3A,H3B), C4(H4A,H4B), C30(H30A,H30B), C5(H5A,H5B), C38(H38A,
 H38B)
2.c Aromatic/amide H refined with riding coordinates:
 N3(H3), C7(H7), C37(H37), C8(H8), C13(H13), C11(H11), C36(H36), C35(H35),
 C32(H32), C29(H29), C26(H26), C28(H28), C27(H27), C19(H19), C23(H23), C16(H16),
  C15(H15), C9(H9), C17(H17), C34(H34), C33(H33), C25(H25), C14(H14), C21(H21),
 C10(H10), C22(H22), C20(H20), C43(H43), C40(H40), C44(H44), C42(H42), C41(H41),
  C45(H45)
;
_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
Ru1 Ru 0.72926(2) 0.55364(2) 0.65432(2) 0.01835(6) Uani 1 1 d . . . . .
P2 P 0.76931(6) 0.37953(4) 0.69614(4) 0.02196(13) Uani 1 1 d . . . . .
P1 P 0.75989(6) 0.72121(4) 0.59266(4) 0.02207(13) Uani 1 1 d . . . . .
O2 O 0.84995(15) 0.66467(12) 0.81689(10) 0.0301(4) Uani 1 1 d . . . . .
N2 N 0.66399(17) 0.59168(14) 0.79316(12) 0.0224(4) Uani 1 1 d . . . . .
N1 N 0.93818(17) 0.55830(14) 0.66458(12) 0.0222(4) Uani 1 1 d . . . . .
H1 H 0.942262 0.579700 0.724942 0.027 Uiso 1 1 calc R U . . .
O1 O 0.46268(16) 0.53704(13) 0.60592(11) 0.0362(4) Uani 1 1 d . . . . .
N3 N 0.9387(2) 0.68348(16) 0.97647(14) 0.0352(5) Uani 1 1 d . . . . .
H3 H 0.919928 0.675814 0.923712 0.042 Uiso 1 1 calc R U . . .
C6 C 0.6710(2) 0.83781(17) 0.63764(15) 0.0244(5) Uani 1 1 d . . . . .
C12 C 0.7549(2) 0.74744(17) 0.47458(15) 0.0241(5) Uani 1 1 d . . . . .
C7 C 0.5719(2) 0.89022(17) 0.59702(16) 0.0278(5) Uani 1 1 d . . . . .
H7 H 0.553749 0.868257 0.543126 0.033 Uiso 1 1 calc R U . . .
C31 C 0.4168(2) 0.61410(18) 0.81270(15) 0.0245(5) Uani 1 1 d . . . . .
C37 C 0.7355(2) 0.63221(18) 0.84173(15) 0.0266(5) Uani 1 1 d . . . . .
H37 H 0.698799 0.638335 0.901885 0.032 Uiso 1 1 calc R U . . .
C24 C 0.7612(2) 0.28268(17) 0.61755(15) 0.0245(5) Uani 1 1 d . . . . .
C8 C 0.4996(2) 0.97401(19) 0.63435(17) 0.0333(6) Uani 1 1 d . . . . .
H8 H 0.432141 1.009069 0.605992 0.040 Uiso 1 1 calc R U . . .
C2 C 0.9313(2) 0.73979(18) 0.60374(16) 0.0283(5) Uani 1 1 d . . . . .
H2A H 0.970537 0.788029 0.555024 0.034 Uiso 1 1 calc R U . . .
H2B H 0.934230 0.770076 0.660278 0.034 Uiso 1 1 calc R U . . .
C3 C 1.0078(2) 0.63585(18) 0.60095(16) 0.0284(5) Uani 1 1 d . . . . .
H3A H 1.018588 0.611958 0.540642 0.034 Uiso 1 1 calc R U . . .
H3B H 1.096267 0.642915 0.615801 0.034 Uiso 1 1 calc R U . . .
C13 C 0.6957(2) 0.68078(18) 0.42858(16) 0.0282(5) Uani 1 1 d . . . . .
H13 H 0.656419 0.621307 0.458838 0.034 Uiso 1 1 calc R U . . .
C4 C 1.0138(2) 0.45651(18) 0.65629(16) 0.0284(5) Uani 1 1 d . . . . .
H4A H 1.101061 0.461101 0.673903 0.034 Uiso 1 1 calc R U . . .
H4B H 1.027444 0.438738 0.594039 0.034 Uiso 1 1 calc R U . . .
C1 C 0.5629(2) 0.54466(17) 0.62852(14) 0.0229(5) Uani 1 1 d . . . . .
C18 C 0.6836(2) 0.31869(17) 0.79915(15) 0.0253(5) Uani 1 1 d . . . . .
C11 C 0.6955(2) 0.87158(18) 0.71679(16) 0.0321(6) Uani 1 1 d . . . . .
H11 H 0.762269 0.836524 0.745852 0.039 Uiso 1 1 calc R U . . .
C36 C 0.4134(2) 0.71741(18) 0.78255(15) 0.0287(5) Uani 1 1 d . . . . .
H36 H 0.491040 0.754144 0.775374 0.034 Uiso 1 1 calc R U . . .
C30 C 0.5379(2) 0.55629(19) 0.83953(16) 0.0287(5) Uani 1 1 d . . . . .
H30A H 0.535414 0.561636 0.903546 0.034 Uiso 1 1 calc R U . . .
H30B H 0.534159 0.482040 0.830030 0.034 Uiso 1 1 calc R U . . .
C35 C 0.2979(2) 0.7680(2) 0.76266(17) 0.0354(6) Uani 1 1 d . . . . .
H35 H 0.297143 0.839026 0.741574 0.042 Uiso 1 1 calc R U . . .
C32 C 0.3022(2) 0.5625(2) 0.82155(17) 0.0327(6) Uani 1 1 d . . . . .
H32 H 0.303359 0.490835 0.840510 0.039 Uiso 1 1 calc R U . . .
C29 C 0.7015(2) 0.30791(18) 0.54377(16) 0.0281(5) Uani 1 1 d . . . . .
H29 H 0.664949 0.376403 0.533524 0.034 Uiso 1 1 calc R U . . .
C26 C 0.8086(3) 0.1084(2) 0.57156(19) 0.0394(7) Uani 1 1 d . . . . .
H26 H 0.845704 0.039941 0.581061 0.047 Uiso 1 1 calc R U . . .
C5 C 0.9412(2) 0.37274(18) 0.71399(17) 0.0299(5) Uani 1 1 d . . . . .
H5A H 0.944878 0.381763 0.776733 0.036 Uiso 1 1 calc R U . . .
H5B H 0.983469 0.303878 0.699705 0.036 Uiso 1 1 calc R U . . .
C28 C 0.6945(2) 0.2340(2) 0.48436(17) 0.0346(6) Uani 1 1 d . . . . .
H28 H 0.652431 0.251800 0.434248 0.041 Uiso 1 1 calc R U . . .
C27 C 0.7488(3) 0.1349(2) 0.49836(18) 0.0404(7) Uani 1 1 d . . . . .
H27 H 0.744899 0.084659 0.457454 0.048 Uiso 1 1 calc R U . . .
C19 C 0.7173(3) 0.3360(2) 0.88034(16) 0.0346(6) Uani 1 1 d . . . . .
H19 H 0.791914 0.373721 0.882549 0.041 Uiso 1 1 calc R U . . .
C23 C 0.5743(2) 0.26312(19) 0.79791(17) 0.0333(6) Uani 1 1 d . . . . .
H23 H 0.550350 0.249771 0.743060 0.040 Uiso 1 1 calc R U . . .
C16 C 0.8078(2) 0.8539(2) 0.33899(17) 0.0365(6) Uani 1 1 d . . . . .
H16 H 0.845625 0.913751 0.308318 0.044 Uiso 1 1 calc R U . . .
C15 C 0.7506(3) 0.7864(2) 0.29401(17) 0.0390(6) Uani 1 1 d . . . . .
H15 H 0.750417 0.798962 0.232366 0.047 Uiso 1 1 calc R U . . .
C9 C 0.5248(3) 1.00680(19) 0.71214(18) 0.0382(6) Uani 1 1 d . . . . .
H9 H 0.474948 1.064314 0.737646 0.046 Uiso 1 1 calc R U . . .
C17 C 0.8103(2) 0.83510(19) 0.42825(16) 0.0317(6) Uani 1 1 d . . . . .
H17 H 0.849952 0.882080 0.458528 0.038 Uiso 1 1 calc R U . . .
C34 C 0.1840(2) 0.7160(2) 0.77328(17) 0.0394(7) Uani 1 1 d . . . . .
H34 H 0.104733 0.751007 0.759960 0.047 Uiso 1 1 calc R U . . .
C33 C 0.1864(2) 0.6132(2) 0.80331(18) 0.0400(7) Uani 1 1 d . . . . .
H33 H 0.108213 0.577003 0.811538 0.048 Uiso 1 1 calc R U . . .
C25 C 0.8148(2) 0.18156(18) 0.63131(17) 0.0328(6) Uani 1 1 d . . . . .
H25 H 0.855673 0.162878 0.681848 0.039 Uiso 1 1 calc R U . . .
C14 C 0.6939(2) 0.7007(2) 0.33893(16) 0.0351(6) Uani 1 1 d . . . . .
H14 H 0.653143 0.654847 0.308232 0.042 Uiso 1 1 calc R U . . .
C21 C 0.5342(3) 0.2444(2) 0.95582(18) 0.0443(7) Uani 1 1 d . . . . .
H21 H 0.483392 0.219092 1.009241 0.053 Uiso 1 1 calc R U . . .
C10 C 0.6232(3) 0.9557(2) 0.75312(18) 0.0402(7) Uani 1 1 d . . . . .
H10 H 0.641229 0.978592 0.806720 0.048 Uiso 1 1 calc R U . . .
C39 C 0.9049(3) 0.8642(2) 1.02011(18) 0.0377(6) Uani 1 1 d . . . . .
C22 C 0.4995(3) 0.2268(2) 0.87618(19) 0.0442(7) Uani 1 1 d . . . . .
H22 H 0.424069 0.189736 0.874587 0.053 Uiso 1 1 calc R U . . .
C38 C 1.0016(3) 0.7759(2) 0.99121(19) 0.0423(7) Uani 1 1 d . . . . .
H38A H 1.058377 0.799018 0.935998 0.051 Uiso 1 1 calc R U . . .
H38B H 1.058497 0.758126 1.036868 0.051 Uiso 1 1 calc R U . . .
C20 C 0.6428(3) 0.2988(2) 0.95812(17) 0.0411(7) Uani 1 1 d . . . . .
H20 H 0.666828 0.310831 1.013237 0.049 Uiso 1 1 calc R U . . .
C43 C 0.8359(4) 1.0002(2) 1.1166(2) 0.0580(9) Uani 1 1 d . . . . .
H43 H 0.847938 1.035897 1.165874 0.070 Uiso 1 1 calc R U . . .
C40 C 0.8017(3) 0.8956(2) 0.9759(2) 0.0546(8) Uani 1 1 d . . . . .
H40 H 0.788344 0.858895 0.927443 0.066 Uiso 1 1 calc R U . . .
C44 C 0.9204(3) 0.9175(2) 1.09105(19) 0.0480(7) Uani 1 1 d . . . . .
H44 H 0.990668 0.896803 1.122822 0.058 Uiso 1 1 calc R U . . .
C42 C 0.7338(3) 1.0317(2) 1.0713(2) 0.0573(9) Uani 1 1 d . . . . .
H42 H 0.675502 1.089010 1.088821 0.069 Uiso 1 1 calc R U . . .
C41 C 0.7171(3) 0.9792(3) 1.0004(2) 0.0618(9) Uani 1 1 d . . . . .
H41 H 0.647497 1.000496 0.968210 0.074 Uiso 1 1 calc R U . . .
O3 O 0.9296(4) 0.6136(3) 1.11515(19) 0.1312(15) Uani 1 1 d . . . . .
C45 C 0.9096(4) 0.6122(3) 1.0394(2) 0.0674(10) Uani 1 1 d . . . . .
H45 H 0.869059 0.553678 1.025130 0.081 Uiso 1 1 calc R U . . .
H H 0.782(2) 0.5247(16) 0.5631(14) 0.023(6) Uiso 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
Ru1 P2 2.3210(6) . ?
Ru1 P1 2.3202(6) . ?
Ru1 N2 2.2204(18) . ?
Ru1 N1 2.1965(17) . ?
Ru1 C1 1.840(2) . ?
Ru1 H 1.49(2) . ?
P2 C24 1.830(2) . ?
P2 C18 1.835(2) . ?
P2 C5 1.836(2) . ?
P1 C6 1.836(2) . ?
P1 C12 1.830(2) . ?
P1 C2 1.842(2) . ?
O2 C37 1.275(3) . ?
N2 C37 1.297(3) . ?
N2 C30 1.467(3) . ?
N1 H1 1.0000 . ?
N1 C3 1.485(3) . ?
N1 C4 1.487(3) . ?
O1 C1 1.158(3) . ?
N3 H3 0.8800 . ?
N3 C38 1.456(3) . ?
N3 C45 1.297(4) . ?
C6 C7 1.391(3) . ?
C6 C11 1.395(3) . ?
C12 C13 1.393(3) . ?
C12 C17 1.399(3) . ?
C7 H7 0.9500 . ?
C7 C8 1.383(3) . ?
C31 C36 1.380(3) . ?
C31 C30 1.509(3) . ?
C31 C32 1.386(3) . ?
C37 H37 0.9500 . ?
C24 C29 1.383(3) . ?
C24 C25 1.398(3) . ?
C8 H8 0.9500 . ?
C8 C9 1.373(4) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C2 C3 1.511(3) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C13 H13 0.9500 . ?
C13 C14 1.386(3) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C4 C5 1.509(3) . ?
C18 C19 1.391(3) . ?
C18 C23 1.388(3) . ?
C11 H11 0.9500 . ?
C11 C10 1.381(4) . ?
C36 H36 0.9500 . ?
C36 C35 1.385(3) . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C35 H35 0.9500 . ?
C35 C34 1.381(4) . ?
C32 H32 0.9500 . ?
C32 C33 1.381(4) . ?
C29 H29 0.9500 . ?
C29 C28 1.392(3) . ?
C26 H26 0.9500 . ?
C26 C27 1.379(4) . ?
C26 C25 1.386(3) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C28 H28 0.9500 . ?
C28 C27 1.377(4) . ?
C27 H27 0.9500 . ?
C19 H19 0.9500 . ?
C19 C20 1.387(4) . ?
C23 H23 0.9500 . ?
C23 C22 1.390(4) . ?
C16 H16 0.9500 . ?
C16 C15 1.380(4) . ?
C16 C17 1.380(3) . ?
C15 H15 0.9500 . ?
C15 C14 1.376(4) . ?
C9 H9 0.9500 . ?
C9 C10 1.382(4) . ?
C17 H17 0.9500 . ?
C34 H34 0.9500 . ?
C34 C33 1.374(4) . ?
C33 H33 0.9500 . ?
C25 H25 0.9500 . ?
C14 H14 0.9500 . ?
C21 H21 0.9500 . ?
C21 C22 1.373(4) . ?
C21 C20 1.375(4) . ?
C10 H10 0.9500 . ?
C39 C38 1.510(4) . ?
C39 C40 1.376(4) . ?
C39 C44 1.376(4) . ?
C22 H22 0.9500 . ?
C38 H38A 0.9900 . ?
C38 H38B 0.9900 . ?
C20 H20 0.9500 . ?
C43 H43 0.9500 . ?
C43 C44 1.375(4) . ?
C43 C42 1.376(5) . ?
C40 H40 0.9500 . ?
C40 C41 1.380(4) . ?
C44 H44 0.9500 . ?
C42 H42 0.9500 . ?
C42 C41 1.373(5) . ?
C41 H41 0.9500 . ?
O3 C45 1.220(4) . ?
C45 H45 0.9500 . ?

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
P2 Ru1 H 85.5(8) . . ?
P1 Ru1 P2 161.48(2) . . ?
P1 Ru1 H 83.5(8) . . ?
N2 Ru1 P2 92.10(5) . . ?
N2 Ru1 P1 97.94(5) . . ?
N2 Ru1 H 175.7(8) . . ?
N1 Ru1 P2 82.00(5) . . ?
N1 Ru1 P1 81.94(5) . . ?
N1 Ru1 N2 93.17(7) . . ?
N1 Ru1 H 83.0(8) . . ?
C1 Ru1 P2 97.51(7) . . ?
C1 Ru1 P1 96.98(7) . . ?
C1 Ru1 N2 95.47(8) . . ?
C1 Ru1 N1 171.36(8) . . ?
C1 Ru1 H 88.3(8) . . ?
C24 P2 Ru1 119.09(8) . . ?
C24 P2 C18 102.08(10) . . ?
C24 P2 C5 105.65(11) . . ?
C18 P2 Ru1 121.64(7) . . ?
C18 P2 C5 103.41(11) . . ?
C5 P2 Ru1 103.00(8) . . ?
C6 P1 Ru1 124.35(7) . . ?
C6 P1 C2 102.91(10) . . ?
C12 P1 Ru1 118.24(8) . . ?
C12 P1 C6 101.53(10) . . ?
C12 P1 C2 104.24(11) . . ?
C2 P1 Ru1 103.00(8) . . ?
C37 N2 Ru1 125.14(15) . . ?
C37 N2 C30 115.36(19) . . ?
C30 N2 Ru1 118.94(14) . . ?
Ru1 N1 H1 106.7 . . ?
C3 N1 Ru1 113.68(13) . . ?
C3 N1 H1 106.7 . . ?
C3 N1 C4 108.27(17) . . ?
C4 N1 Ru1 114.21(13) . . ?
C4 N1 H1 106.7 . . ?
C38 N3 H3 119.3 . . ?
C45 N3 H3 119.3 . . ?
C45 N3 C38 121.5(2) . . ?
C7 C6 P1 120.93(17) . . ?
C7 C6 C11 118.5(2) . . ?
C11 C6 P1 120.44(18) . . ?
C13 C12 P1 120.90(18) . . ?
C13 C12 C17 118.3(2) . . ?
C17 C12 P1 120.77(18) . . ?
C6 C7 H7 119.7 . . ?
C8 C7 C6 120.6(2) . . ?
C8 C7 H7 119.7 . . ?
C36 C31 C30 123.0(2) . . ?
C36 C31 C32 118.2(2) . . ?
C32 C31 C30 118.7(2) . . ?
O2 C37 N2 126.6(2) . . ?
O2 C37 H37 116.7 . . ?
N2 C37 H37 116.7 . . ?
C29 C24 P2 120.72(18) . . ?
C29 C24 C25 118.8(2) . . ?
C25 C24 P2 120.47(18) . . ?
C7 C8 H8 119.8 . . ?
C9 C8 C7 120.4(2) . . ?
C9 C8 H8 119.8 . . ?
P1 C2 H2A 109.9 . . ?
P1 C2 H2B 109.9 . . ?
H2A C2 H2B 108.3 . . ?
C3 C2 P1 108.80(15) . . ?
C3 C2 H2A 109.9 . . ?
C3 C2 H2B 109.9 . . ?
N1 C3 C2 110.33(18) . . ?
N1 C3 H3A 109.6 . . ?
N1 C3 H3B 109.6 . . ?
C2 C3 H3A 109.6 . . ?
C2 C3 H3B 109.6 . . ?
H3A C3 H3B 108.1 . . ?
C12 C13 H13 119.8 . . ?
C14 C13 C12 120.4(2) . . ?
C14 C13 H13 119.8 . . ?
N1 C4 H4A 109.6 . . ?
N1 C4 H4B 109.6 . . ?
N1 C4 C5 110.45(18) . . ?
H4A C4 H4B 108.1 . . ?
C5 C4 H4A 109.6 . . ?
C5 C4 H4B 109.6 . . ?
O1 C1 Ru1 174.8(2) . . ?
C19 C18 P2 121.18(19) . . ?
C23 C18 P2 119.99(18) . . ?
C23 C18 C19 118.5(2) . . ?
C6 C11 H11 119.8 . . ?
C10 C11 C6 120.3(2) . . ?
C10 C11 H11 119.8 . . ?
C31 C36 H36 119.7 . . ?
C31 C36 C35 120.7(2) . . ?
C35 C36 H36 119.7 . . ?
N2 C30 C31 115.87(19) . . ?
N2 C30 H30A 108.3 . . ?
N2 C30 H30B 108.3 . . ?
C31 C30 H30A 108.3 . . ?
C31 C30 H30B 108.3 . . ?
H30A C30 H30B 107.4 . . ?
C36 C35 H35 119.8 . . ?
C34 C35 C36 120.4(3) . . ?
C34 C35 H35 119.8 . . ?
C31 C32 H32 119.4 . . ?
C33 C32 C31 121.2(2) . . ?
C33 C32 H32 119.4 . . ?
C24 C29 H29 119.7 . . ?
C24 C29 C28 120.7(2) . . ?
C28 C29 H29 119.7 . . ?
C27 C26 H26 119.9 . . ?
C27 C26 C25 120.1(2) . . ?
C25 C26 H26 119.9 . . ?
P2 C5 H5A 109.7 . . ?
P2 C5 H5B 109.7 . . ?
C4 C5 P2 109.88(16) . . ?
C4 C5 H5A 109.7 . . ?
C4 C5 H5B 109.7 . . ?
H5A C5 H5B 108.2 . . ?
C29 C28 H28 120.1 . . ?
C27 C28 C29 119.9(2) . . ?
C27 C28 H28 120.1 . . ?
C26 C27 H27 119.9 . . ?
C28 C27 C26 120.2(2) . . ?
C28 C27 H27 119.9 . . ?
C18 C19 H19 119.7 . . ?
C20 C19 C18 120.5(3) . . ?
C20 C19 H19 119.7 . . ?
C18 C23 H23 119.7 . . ?
C18 C23 C22 120.6(2) . . ?
C22 C23 H23 119.7 . . ?
C15 C16 H16 119.8 . . ?
C15 C16 C17 120.4(2) . . ?
C17 C16 H16 119.8 . . ?
C16 C15 H15 120.2 . . ?
C14 C15 C16 119.6(2) . . ?
C14 C15 H15 120.2 . . ?
C8 C9 H9 120.2 . . ?
C8 C9 C10 119.6(2) . . ?
C10 C9 H9 120.2 . . ?
C12 C17 H17 119.7 . . ?
C16 C17 C12 120.6(2) . . ?
C16 C17 H17 119.7 . . ?
C35 C34 H34 120.3 . . ?
C33 C34 C35 119.3(2) . . ?
C33 C34 H34 120.3 . . ?
C32 C33 H33 120.0 . . ?
C34 C33 C32 120.1(2) . . ?
C34 C33 H33 120.0 . . ?
C24 C25 H25 119.8 . . ?
C26 C25 C24 120.3(2) . . ?
C26 C25 H25 119.8 . . ?
C13 C14 H14 119.7 . . ?
C15 C14 C13 120.6(2) . . ?
C15 C14 H14 119.7 . . ?
C22 C21 H21 120.0 . . ?
C22 C21 C20 119.9(3) . . ?
C20 C21 H21 120.0 . . ?
C11 C10 C9 120.5(2) . . ?
C11 C10 H10 119.7 . . ?
C9 C10 H10 119.7 . . ?
C40 C39 C38 121.7(2) . . ?
C40 C39 C44 118.1(3) . . ?
C44 C39 C38 120.1(3) . . ?
C23 C22 H22 119.9 . . ?
C21 C22 C23 120.1(3) . . ?
C21 C22 H22 119.9 . . ?
N3 C38 C39 113.2(2) . . ?
N3 C38 H38A 108.9 . . ?
N3 C38 H38B 108.9 . . ?
C39 C38 H38A 108.9 . . ?
C39 C38 H38B 108.9 . . ?
H38A C38 H38B 107.8 . . ?
C19 C20 H20 119.9 . . ?
C21 C20 C19 120.3(3) . . ?
C21 C20 H20 119.9 . . ?
C44 C43 H43 119.8 . . ?
C44 C43 C42 120.4(3) . . ?
C42 C43 H43 119.8 . . ?
C39 C40 H40 119.3 . . ?
C39 C40 C41 121.3(3) . . ?
C41 C40 H40 119.3 . . ?
C39 C44 H44 119.5 . . ?
C43 C44 C39 121.0(3) . . ?
C43 C44 H44 119.5 . . ?
C43 C42 H42 120.4 . . ?
C41 C42 C43 119.2(3) . . ?
C41 C42 H42 120.4 . . ?
C40 C41 H41 120.0 . . ?
C42 C41 C40 119.9(3) . . ?
C42 C41 H41 120.0 . . ?
N3 C45 H45 117.1 . . ?
O3 C45 N3 125.8(3) . . ?
O3 C45 H45 117.1 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ru1 P2 C24 C29 -15.9(2) . . . . ?
Ru1 P2 C24 C25 164.38(16) . . . . ?
Ru1 P2 C18 C19 -75.5(2) . . . . ?
Ru1 P2 C18 C23 97.60(19) . . . . ?
Ru1 P2 C5 C4 -28.18(17) . . . . ?
Ru1 P1 C6 C7 -105.72(18) . . . . ?
Ru1 P1 C6 C11 69.9(2) . . . . ?
Ru1 P1 C12 C13 19.5(2) . . . . ?
Ru1 P1 C12 C17 -160.57(16) . . . . ?
Ru1 P1 C2 C3 29.36(17) . . . . ?
Ru1 N2 C37 O2 6.0(3) . . . . ?
Ru1 N2 C30 C31 -73.9(2) . . . . ?
Ru1 N1 C3 C2 49.3(2) . . . . ?
Ru1 N1 C4 C5 -47.4(2) . . . . ?
P2 C24 C29 C28 -179.52(17) . . . . ?
P2 C24 C25 C26 -179.91(19) . . . . ?
P2 C18 C19 C20 173.03(19) . . . . ?
P2 C18 C23 C22 -172.54(19) . . . . ?
P1 C6 C7 C8 175.79(18) . . . . ?
P1 C6 C11 C10 -176.20(19) . . . . ?
P1 C12 C13 C14 -179.20(17) . . . . ?
P1 C12 C17 C16 179.17(18) . . . . ?
P1 C2 C3 N1 -50.8(2) . . . . ?
N1 C4 C5 P2 48.8(2) . . . . ?
C6 P1 C12 C13 -120.26(19) . . . . ?
C6 P1 C12 C17 59.7(2) . . . . ?
C6 P1 C2 C3 159.68(16) . . . . ?
C6 C7 C8 C9 0.1(4) . . . . ?
C6 C11 C10 C9 0.7(4) . . . . ?
C12 P1 C6 C7 30.7(2) . . . . ?
C12 P1 C6 C11 -153.71(19) . . . . ?
C12 P1 C2 C3 -94.67(18) . . . . ?
C12 C13 C14 C15 0.1(4) . . . . ?
C7 C6 C11 C10 -0.5(3) . . . . ?
C7 C8 C9 C10 0.1(4) . . . . ?
C31 C36 C35 C34 0.4(4) . . . . ?
C31 C32 C33 C34 2.0(4) . . . . ?
C37 N2 C30 C31 114.3(2) . . . . ?
C24 P2 C18 C19 148.78(19) . . . . ?
C24 P2 C18 C23 -38.1(2) . . . . ?
C24 P2 C5 C4 97.47(17) . . . . ?
C24 C29 C28 C27 -0.8(4) . . . . ?
C8 C9 C10 C11 -0.5(4) . . . . ?
C2 P1 C6 C7 138.41(19) . . . . ?
C2 P1 C6 C11 -46.0(2) . . . . ?
C2 P1 C12 C13 133.06(19) . . . . ?
C2 P1 C12 C17 -47.0(2) . . . . ?
C3 N1 C4 C5 -175.12(18) . . . . ?
C13 C12 C17 C16 -0.9(3) . . . . ?
C4 N1 C3 C2 177.32(18) . . . . ?
C18 P2 C24 C29 121.24(19) . . . . ?
C18 P2 C24 C25 -58.5(2) . . . . ?
C18 P2 C5 C4 -155.66(16) . . . . ?
C18 C19 C20 C21 -0.2(4) . . . . ?
C18 C23 C22 C21 -0.9(4) . . . . ?
C11 C6 C7 C8 0.1(3) . . . . ?
C36 C31 C30 N2 -30.3(3) . . . . ?
C36 C31 C32 C33 -1.9(4) . . . . ?
C36 C35 C34 C33 -0.4(4) . . . . ?
C30 N2 C37 O2 177.3(2) . . . . ?
C30 C31 C36 C35 -177.0(2) . . . . ?
C30 C31 C32 C33 175.9(2) . . . . ?
C35 C34 C33 C32 -0.8(4) . . . . ?
C32 C31 C36 C35 0.7(3) . . . . ?
C32 C31 C30 N2 152.0(2) . . . . ?
C29 C24 C25 C26 0.4(3) . . . . ?
C29 C28 C27 C26 0.7(4) . . . . ?
C5 P2 C24 C29 -130.92(19) . . . . ?
C5 P2 C24 C25 49.3(2) . . . . ?
C5 P2 C18 C19 39.2(2) . . . . ?
C5 P2 C18 C23 -147.66(19) . . . . ?
C27 C26 C25 C24 -0.4(4) . . . . ?
C19 C18 C23 C22 0.8(4) . . . . ?
C23 C18 C19 C20 -0.2(3) . . . . ?
C16 C15 C14 C13 -1.1(4) . . . . ?
C15 C16 C17 C12 -0.1(4) . . . . ?
C17 C12 C13 C14 0.9(3) . . . . ?
C17 C16 C15 C14 1.1(4) . . . . ?
C25 C24 C29 C28 0.2(3) . . . . ?
C25 C26 C27 C28 -0.2(4) . . . . ?
C39 C40 C41 C42 -1.3(5) . . . . ?
C22 C21 C20 C19 0.1(4) . . . . ?
C38 N3 C45 O3 0.4(6) . . . . ?
C38 C39 C40 C41 -177.1(3) . . . . ?
C38 C39 C44 C43 177.9(3) . . . . ?
C20 C21 C22 C23 0.5(4) . . . . ?
C43 C42 C41 C40 0.5(5) . . . . ?
C40 C39 C38 N3 -49.3(4) . . . . ?
C40 C39 C44 C43 -0.5(4) . . . . ?
C44 C39 C38 N3 132.4(3) . . . . ?
C44 C39 C40 C41 1.2(5) . . . . ?
C44 C43 C42 C41 0.2(5) . . . . ?
C42 C43 C44 C39 -0.2(5) . . . . ?
C45 N3 C38 C39 -90.1(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 1.345
_oxdiff_exptl_absorpt_empirical_full_min 0.729
