# Supplementary Information (SI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2025

####################################################################### 
# 
# 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_l1300a
_audit_block_doi                 10.5517/ccdc.csd.cc2k2gch
_database_code_depnum_ccdc_archive 'CCDC 2355856'
loop_
_citation_id
_citation_doi
_citation_year
1 10.26434/chemrxiv-2024-mttp6-v2 2025
loop_
_audit_author_name
_audit_author_address
'Martin Lutz'
;Utrecht University
Netherlands
;
_audit_update_record             
;
2024-05-16 deposited with the CCDC.	2025-06-23 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         'C20 H30 Cl N P Ru, F6 P, C H2 Cl2'
_chemical_formula_sum            'C21 H32 Cl3 F6 N P2 Ru'
_chemical_formula_weight         681.83

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_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, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   8.7180(4)
_cell_length_b                   18.4723(8)
_cell_length_c                   16.8326(6)
_cell_angle_alpha                90
_cell_angle_beta                 91.306(2)
_cell_angle_gamma                90
_cell_volume                     2710.1(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    42095
_cell_measurement_theta_min      1.60
_cell_measurement_theta_max      27.56

loop_
_diffrn_orient_matrix_type
_diffrn_orient_matrix_UB_11
_diffrn_orient_matrix_UB_12
_diffrn_orient_matrix_UB_13
_diffrn_orient_matrix_UB_21
_diffrn_orient_matrix_UB_22
_diffrn_orient_matrix_UB_23
_diffrn_orient_matrix_UB_31
_diffrn_orient_matrix_UB_32
_diffrn_orient_matrix_UB_33
'Nonius RMAT' 0.0813937 -0.0308380 -0.0235967 -0.0696776 -0.0108066 -0.0464306
0.0407595 0.0431075 -0.0285201

_exptl_crystal_description       needle
_exptl_crystal_colour            orange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.671
_exptl_crystal_F_000             1376
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.58
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.07
_exptl_absorpt_coefficient_mu    1.046
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_correction_T_min  0.5717
_exptl_absorpt_correction_T_max  0.9422
_exptl_absorpt_process_details   
;
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'sealed tube'
_diffrn_measurement_device_type  'Bruker Kappa ApexII'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            62917
_diffrn_reflns_av_unetI/netI     0.0276
_diffrn_reflns_av_R_equivalents  0.0488
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         1.637
_diffrn_reflns_theta_max         27.519
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             6236
_reflns_number_gt                5088
_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       Apex3
_computing_cell_refinement       Peakref
_computing_data_reduction        'Eval15, Sadabs'
_computing_structure_solution    SHELXT
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_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)+(0.0274P)²+0.3186P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         6236
_refine_ls_number_parameters     365
_refine_ls_number_restraints     57
_refine_ls_R_factor_all          0.0326
_refine_ls_R_factor_gt           0.0238
_refine_ls_wR_factor_ref         0.0568
_refine_ls_wR_factor_gt          0.0552
_refine_ls_goodness_of_fit_ref   1.096
_refine_ls_restrained_S_all      1.121
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

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 0.43981(2) 0.40681(2) 0.32226(2) 0.01387(5) Uani 1 1 d . . . . .
Cl1 Cl 0.51558(5) 0.46132(3) 0.19845(3) 0.02296(10) Uani 1 1 d . . . . .
P1 P 0.41062(5) 0.29081(2) 0.26248(3) 0.01658(10) Uani 1 1 d . . . . .
N1 N 0.22027(17) 0.41860(8) 0.26640(9) 0.0171(3) Uani 1 1 d . . . . .
C11 C 0.2869(2) 0.31855(10) 0.17795(11) 0.0210(4) Uani 1 1 d . . . . .
H11A H 0.351085 0.336521 0.134367 0.025 Uiso 1 1 calc R U . . .
H11B H 0.227720 0.276327 0.157959 0.025 Uiso 1 1 calc R U . . .
C21 C 0.1786(2) 0.37702(10) 0.20285(11) 0.0192(4) Uani 1 1 d . . . . .
C31 C 0.0405(2) 0.38823(12) 0.16148(12) 0.0267(5) Uani 1 1 d . . . . .
H31 H 0.013599 0.358663 0.117133 0.032 Uiso 1 1 calc R U . . .
C41 C -0.0569(2) 0.44246(12) 0.18519(13) 0.0322(5) Uani 1 1 d . . . . .
H41 H -0.151369 0.450770 0.157399 0.039 Uiso 1 1 calc R U . . .
C51 C -0.0154(2) 0.48434(11) 0.24971(13) 0.0289(5) Uani 1 1 d . . . . .
H51 H -0.081492 0.521586 0.267465 0.035 Uiso 1 1 calc R U . . .
C61 C 0.1237(2) 0.47169(10) 0.28850(12) 0.0232(4) Uani 1 1 d . . . . .
H61 H 0.152284 0.501508 0.332369 0.028 Uiso 1 1 calc R U . . .
C71 C 0.5796(2) 0.24482(10) 0.21559(12) 0.0245(4) Uani 1 1 d . . . . .
C81 C 0.6609(3) 0.19228(12) 0.27355(15) 0.0398(6) Uani 1 1 d . . . . .
H81A H 0.591650 0.152239 0.285870 0.060 Uiso 1 1 calc R U . . .
H81B H 0.689467 0.217989 0.322625 0.060 Uiso 1 1 calc R U . . .
H81C H 0.753442 0.173117 0.249105 0.060 Uiso 1 1 calc R U . . .
C91 C 0.6961(2) 0.30264(11) 0.19301(14) 0.0339(5) Uani 1 1 d . . . . .
H91A H 0.783504 0.279616 0.167498 0.051 Uiso 1 1 calc R U . . .
H91B H 0.732005 0.328200 0.240953 0.051 Uiso 1 1 calc R U . . .
H91C H 0.647623 0.337195 0.156097 0.051 Uiso 1 1 calc R U . . .
C101 C 0.5312(3) 0.20489(12) 0.13856(13) 0.0372(5) Uani 1 1 d . . . . .
H10A H 0.488384 0.239726 0.100163 0.056 Uiso 1 1 calc R U . . .
H10B H 0.453588 0.168359 0.150551 0.056 Uiso 1 1 calc R U . . .
H10C H 0.620933 0.181209 0.116032 0.056 Uiso 1 1 calc R U . . .
C111 C 0.2920(2) 0.22247(10) 0.31809(12) 0.0230(4) Uani 1 1 d . . . . .
C121 C 0.3679(3) 0.20025(11) 0.39783(12) 0.0306(5) Uani 1 1 d . . . . .
H12A H 0.302045 0.165434 0.424743 0.046 Uiso 1 1 calc R U . . .
H12B H 0.382268 0.243190 0.431373 0.046 Uiso 1 1 calc R U . . .
H12C H 0.467787 0.177968 0.388167 0.046 Uiso 1 1 calc R U . . .
C131 C 0.2618(3) 0.15298(11) 0.26937(13) 0.0348(5) Uani 1 1 d . . . . .
H13A H 0.358176 0.126446 0.263492 0.052 Uiso 1 1 calc R U . . .
H13B H 0.219883 0.165915 0.216745 0.052 Uiso 1 1 calc R U . . .
H13C H 0.188017 0.122444 0.296935 0.052 Uiso 1 1 calc R U . . .
C141 C 0.1354(2) 0.25746(11) 0.33433(13) 0.0298(5) Uani 1 1 d . . . . .
H14A H 0.074618 0.224724 0.366893 0.045 Uiso 1 1 calc R U . . .
H14B H 0.080811 0.266597 0.283797 0.045 Uiso 1 1 calc R U . . .
H14C H 0.151272 0.303307 0.362635 0.045 Uiso 1 1 calc R U . . .
C151 C 0.6612(2) 0.41791(12) 0.38869(12) 0.0255(4) Uani 1 1 d . . . . .
H151 H 0.759(3) 0.4067(11) 0.3700(13) 0.032(6) Uiso 1 1 d . . . . .
C161 C 0.5986(2) 0.48779(11) 0.37708(12) 0.0243(4) Uani 1 1 d . . . . .
H161 H 0.654(2) 0.5222(11) 0.3516(12) 0.024(6) Uiso 1 1 d . . . . .
C171 C 0.4510(2) 0.50473(11) 0.40074(11) 0.0229(4) Uani 1 1 d . . . . .
H171 H 0.413(3) 0.5501(12) 0.3916(13) 0.036(6) Uiso 1 1 d . . . . .
C181 C 0.3617(2) 0.45001(11) 0.43656(11) 0.0223(4) Uani 1 1 d . . . . .
H181 H 0.267(2) 0.4598(10) 0.4499(11) 0.015(5) Uiso 1 1 d . . . . .
C191 C 0.4230(2) 0.38108(11) 0.45043(11) 0.0237(4) Uani 1 1 d . . . . .
H191 H 0.366(2) 0.3477(11) 0.4727(12) 0.025(6) Uiso 1 1 d . . . . .
C201 C 0.5723(2) 0.36465(11) 0.42529(12) 0.0261(4) Uani 1 1 d . . . . .
H201 H 0.609(2) 0.3187(12) 0.4309(12) 0.029(6) Uiso 1 1 d . . . . .
P2 P 0.00832(6) 0.64608(3) 0.45120(3) 0.02330(11) Uani 1 1 d . . . . .
F12 F 0.15157(15) 0.59322(7) 0.43994(8) 0.0427(3) Uani 1 1 d . . . . .
F22 F -0.01649(14) 0.61372(7) 0.53784(7) 0.0356(3) Uani 1 1 d . . . . .
F32 F -0.13484(15) 0.69938(8) 0.46243(8) 0.0485(4) Uani 1 1 d . . . . .
F42 F 0.03136(15) 0.67860(8) 0.36432(8) 0.0499(4) Uani 1 1 d . . . . .
F52 F -0.10531(16) 0.58599(8) 0.41467(8) 0.0472(4) Uani 1 1 d . . . . .
F62 F 0.12127(15) 0.70589(7) 0.48765(8) 0.0438(3) Uani 1 1 d . . . . .
Cl13 Cl 0.2187(6) 0.87277(19) 0.5213(3) 0.0541(11) Uani 0.463(13) 1 d D U P A 1
Cl23 Cl 0.2628(13) 1.0280(3) 0.4955(3) 0.0778(17) Uani 0.463(13) 1 d D U P A 1
C13 C 0.3237(13) 0.9506(3) 0.5303(9) 0.097(4) Uani 0.463(13) 1 d D U P A 1
H13D H 0.345194 0.957669 0.587763 0.116 Uiso 0.463(13) 1 calc R U P A 1
H13E H 0.423593 0.941014 0.505541 0.116 Uiso 0.463(13) 1 calc R U P A 1
Cl33 Cl 0.2002(8) 0.8751(2) 0.5287(4) 0.1073(19) Uani 0.537(13) 1 d D U P A 2
Cl43 Cl 0.2278(12) 1.0275(2) 0.4989(3) 0.0820(18) Uani 0.537(13) 1 d D U P A 2
C23 C 0.2366(12) 0.9589(3) 0.5662(3) 0.059(2) Uani 0.537(13) 1 d D U P A 2
H23A H 0.340247 0.958717 0.591438 0.071 Uiso 0.537(13) 1 calc R U P A 2
H23B H 0.162072 0.968994 0.608261 0.071 Uiso 0.537(13) 1 calc R U P A 2


_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 N1 2.1244(15) . ?
Ru1 C201 2.2038(19) . ?
Ru1 C181 2.2051(19) . ?
Ru1 C191 2.2173(19) . ?
Ru1 C151 2.2182(19) . ?
Ru1 C161 2.2242(19) . ?
Ru1 C171 2.2406(19) . ?
Ru1 P1 2.3785(5) . ?
Ru1 Cl1 2.4200(5) . ?
P1 C11 1.8385(19) . ?
P1 C71 1.8891(19) . ?
P1 C111 1.8930(19) . ?
N1 C61 1.351(2) . ?
N1 C21 1.360(2) . ?
C11 C21 1.501(3) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C21 C31 1.392(2) . ?
C31 C41 1.378(3) . ?
C31 H31 0.9500 . ?
C41 C51 1.375(3) . ?
C41 H41 0.9500 . ?
C51 C61 1.384(3) . ?
C51 H51 0.9500 . ?
C61 H61 0.9500 . ?
C71 C91 1.528(3) . ?
C71 C81 1.538(3) . ?
C71 C101 1.542(3) . ?
C81 H81A 0.9800 . ?
C81 H81B 0.9800 . ?
C81 H81C 0.9800 . ?
C91 H91A 0.9800 . ?
C91 H91B 0.9800 . ?
C91 H91C 0.9800 . ?
C101 H10A 0.9800 . ?
C101 H10B 0.9800 . ?
C101 H10C 0.9800 . ?
C111 C121 1.539(3) . ?
C111 C141 1.540(3) . ?
C111 C131 1.543(3) . ?
C121 H12A 0.9800 . ?
C121 H12B 0.9800 . ?
C121 H12C 0.9800 . ?
C131 H13A 0.9800 . ?
C131 H13B 0.9800 . ?
C131 H13C 0.9800 . ?
C141 H14A 0.9800 . ?
C141 H14B 0.9800 . ?
C141 H14C 0.9800 . ?
C151 C201 1.404(3) . ?
C151 C161 1.413(3) . ?
C151 H151 0.94(2) . ?
C161 C171 1.392(3) . ?
C161 H161 0.91(2) . ?
C171 C181 1.419(3) . ?
C171 H171 0.91(2) . ?
C181 C191 1.399(3) . ?
C181 H181 0.876(19) . ?
C191 C201 1.410(3) . ?
C191 H191 0.88(2) . ?
C201 H201 0.91(2) . ?
P2 F62 1.5936(13) . ?
P2 F22 1.5954(13) . ?
P2 F42 1.5979(13) . ?
P2 F12 1.6000(13) . ?
P2 F52 1.6011(13) . ?
P2 F32 1.6043(13) . ?
Cl13 C13 1.708(6) . ?
Cl23 C13 1.630(6) . ?
C13 H13D 0.9900 . ?
C13 H13E 0.9900 . ?
Cl33 C23 1.698(5) . ?
Cl43 C23 1.700(5) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?

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
N1 Ru1 C201 146.64(7) . . ?
N1 Ru1 C181 93.21(7) . . ?
C201 Ru1 C181 66.93(8) . . ?
N1 Ru1 C191 111.96(7) . . ?
C201 Ru1 C191 37.20(8) . . ?
C181 Ru1 C191 36.88(7) . . ?
N1 Ru1 C151 168.13(7) . . ?
C201 Ru1 C151 37.02(8) . . ?
C181 Ru1 C151 79.01(8) . . ?
C191 Ru1 C151 66.75(8) . . ?
N1 Ru1 C161 131.35(7) . . ?
C201 Ru1 C161 66.50(8) . . ?
C181 Ru1 C161 66.19(7) . . ?
C191 Ru1 C161 78.15(8) . . ?
C151 Ru1 C161 37.11(8) . . ?
N1 Ru1 C171 101.82(7) . . ?
C201 Ru1 C171 78.84(8) . . ?
C181 Ru1 C171 37.21(7) . . ?
C191 Ru1 C171 66.57(8) . . ?
C151 Ru1 C171 66.59(8) . . ?
C161 Ru1 C171 36.32(7) . . ?
N1 Ru1 P1 79.54(4) . . ?
C201 Ru1 P1 93.65(6) . . ?
C181 Ru1 P1 131.53(5) . . ?
C191 Ru1 P1 102.11(6) . . ?
C151 Ru1 P1 112.34(6) . . ?
C161 Ru1 P1 147.25(6) . . ?
C171 Ru1 P1 168.38(5) . . ?
N1 Ru1 Cl1 80.62(4) . . ?
C201 Ru1 Cl1 132.56(6) . . ?
C181 Ru1 Cl1 134.16(5) . . ?
C191 Ru1 Cl1 162.27(5) . . ?
C151 Ru1 Cl1 98.29(6) . . ?
C161 Ru1 Cl1 84.14(6) . . ?
C171 Ru1 Cl1 99.37(5) . . ?
P1 Ru1 Cl1 92.243(17) . . ?
C11 P1 C71 104.56(9) . . ?
C11 P1 C111 104.55(9) . . ?
C71 P1 C111 110.29(9) . . ?
C11 P1 Ru1 97.56(6) . . ?
C71 P1 Ru1 120.32(6) . . ?
C111 P1 Ru1 116.49(6) . . ?
C61 N1 C21 118.02(16) . . ?
C61 N1 Ru1 120.91(12) . . ?
C21 N1 Ru1 120.82(12) . . ?
C21 C11 P1 110.26(13) . . ?
C21 C11 H11A 109.6 . . ?
P1 C11 H11A 109.6 . . ?
C21 C11 H11B 109.6 . . ?
P1 C11 H11B 109.6 . . ?
H11A C11 H11B 108.1 . . ?
N1 C21 C31 121.47(17) . . ?
N1 C21 C11 117.88(16) . . ?
C31 C21 C11 120.64(17) . . ?
C41 C31 C21 119.65(19) . . ?
C41 C31 H31 120.2 . . ?
C21 C31 H31 120.2 . . ?
C51 C41 C31 118.98(18) . . ?
C51 C41 H41 120.5 . . ?
C31 C41 H41 120.5 . . ?
C41 C51 C61 119.33(19) . . ?
C41 C51 H51 120.3 . . ?
C61 C51 H51 120.3 . . ?
N1 C61 C51 122.54(19) . . ?
N1 C61 H61 118.7 . . ?
C51 C61 H61 118.7 . . ?
C91 C71 C81 107.45(17) . . ?
C91 C71 C101 107.21(18) . . ?
C81 C71 C101 110.17(17) . . ?
C91 C71 P1 108.59(13) . . ?
C81 C71 P1 111.80(14) . . ?
C101 C71 P1 111.42(14) . . ?
C71 C81 H81A 109.5 . . ?
C71 C81 H81B 109.5 . . ?
H81A C81 H81B 109.5 . . ?
C71 C81 H81C 109.5 . . ?
H81A C81 H81C 109.5 . . ?
H81B C81 H81C 109.5 . . ?
C71 C91 H91A 109.5 . . ?
C71 C91 H91B 109.5 . . ?
H91A C91 H91B 109.5 . . ?
C71 C91 H91C 109.5 . . ?
H91A C91 H91C 109.5 . . ?
H91B C91 H91C 109.5 . . ?
C71 C101 H10A 109.5 . . ?
C71 C101 H10B 109.5 . . ?
H10A C101 H10B 109.5 . . ?
C71 C101 H10C 109.5 . . ?
H10A C101 H10C 109.5 . . ?
H10B C101 H10C 109.5 . . ?
C121 C111 C141 108.81(17) . . ?
C121 C111 C131 107.86(16) . . ?
C141 C111 C131 107.58(16) . . ?
C121 C111 P1 112.35(13) . . ?
C141 C111 P1 107.71(13) . . ?
C131 C111 P1 112.38(14) . . ?
C111 C121 H12A 109.5 . . ?
C111 C121 H12B 109.5 . . ?
H12A C121 H12B 109.5 . . ?
C111 C121 H12C 109.5 . . ?
H12A C121 H12C 109.5 . . ?
H12B C121 H12C 109.5 . . ?
C111 C131 H13A 109.5 . . ?
C111 C131 H13B 109.5 . . ?
H13A C131 H13B 109.5 . . ?
C111 C131 H13C 109.5 . . ?
H13A C131 H13C 109.5 . . ?
H13B C131 H13C 109.5 . . ?
C111 C141 H14A 109.5 . . ?
C111 C141 H14B 109.5 . . ?
H14A C141 H14B 109.5 . . ?
C111 C141 H14C 109.5 . . ?
H14A C141 H14C 109.5 . . ?
H14B C141 H14C 109.5 . . ?
C201 C151 C161 119.02(19) . . ?
C201 C151 Ru1 70.94(11) . . ?
C161 C151 Ru1 71.68(11) . . ?
C201 C151 H151 120.5(13) . . ?
C161 C151 H151 120.4(13) . . ?
Ru1 C151 H151 126.7(14) . . ?
C171 C161 C151 121.52(19) . . ?
C171 C161 Ru1 72.48(11) . . ?
C151 C161 Ru1 71.22(11) . . ?
C171 C161 H161 118.6(13) . . ?
C151 C161 H161 119.9(13) . . ?
Ru1 C161 H161 127.2(13) . . ?
C161 C171 C181 118.78(19) . . ?
C161 C171 Ru1 71.20(11) . . ?
C181 C171 Ru1 70.04(11) . . ?
C161 C171 H171 119.7(14) . . ?
C181 C171 H171 121.5(14) . . ?
Ru1 C171 H171 129.1(14) . . ?
C191 C181 C171 120.53(19) . . ?
C191 C181 Ru1 72.04(11) . . ?
C171 C181 Ru1 72.76(11) . . ?
C191 C181 H181 120.2(12) . . ?
C171 C181 H181 119.3(12) . . ?
Ru1 C181 H181 127.5(12) . . ?
C181 C191 C201 119.85(19) . . ?
C181 C191 Ru1 71.08(11) . . ?
C201 C191 Ru1 70.88(11) . . ?
C181 C191 H191 119.3(14) . . ?
C201 C191 H191 120.8(14) . . ?
Ru1 C191 H191 127.9(13) . . ?
C151 C201 C191 120.23(19) . . ?
C151 C201 Ru1 72.05(11) . . ?
C191 C201 Ru1 71.92(11) . . ?
C151 C201 H201 120.2(14) . . ?
C191 C201 H201 119.5(14) . . ?
Ru1 C201 H201 125.9(14) . . ?
F62 P2 F22 90.19(7) . . ?
F62 P2 F42 90.13(8) . . ?
F22 P2 F42 179.43(8) . . ?
F62 P2 F12 89.52(7) . . ?
F22 P2 F12 90.12(7) . . ?
F42 P2 F12 90.36(8) . . ?
F62 P2 F52 179.93(10) . . ?
F22 P2 F52 89.76(7) . . ?
F42 P2 F52 89.92(8) . . ?
F12 P2 F52 90.53(8) . . ?
F62 P2 F32 90.26(8) . . ?
F22 P2 F32 90.01(7) . . ?
F42 P2 F32 89.51(8) . . ?
F12 P2 F32 179.75(9) . . ?
F52 P2 F32 89.69(8) . . ?
Cl23 C13 Cl13 122.5(5) . . ?
Cl23 C13 H13D 106.7 . . ?
Cl13 C13 H13D 106.7 . . ?
Cl23 C13 H13E 106.7 . . ?
Cl13 C13 H13E 106.7 . . ?
H13D C13 H13E 106.6 . . ?
Cl33 C23 Cl43 115.3(4) . . ?
Cl33 C23 H23A 108.5 . . ?
Cl43 C23 H23A 108.5 . . ?
Cl33 C23 H23B 108.5 . . ?
Cl43 C23 H23B 108.5 . . ?
H23A C23 H23B 107.5 . . ?

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
C71 P1 C11 C21 -160.34(13) . . . . ?
C111 P1 C11 C21 83.71(14) . . . . ?
Ru1 P1 C11 C21 -36.23(13) . . . . ?
C61 N1 C21 C31 -0.2(3) . . . . ?
Ru1 N1 C21 C31 -174.50(14) . . . . ?
C61 N1 C21 C11 179.40(16) . . . . ?
Ru1 N1 C21 C11 5.1(2) . . . . ?
P1 C11 C21 N1 24.4(2) . . . . ?
P1 C11 C21 C31 -155.98(15) . . . . ?
N1 C21 C31 C41 -0.2(3) . . . . ?
C11 C21 C31 C41 -179.72(19) . . . . ?
C21 C31 C41 C51 -0.2(3) . . . . ?
C31 C41 C51 C61 0.8(3) . . . . ?
C21 N1 C61 C51 0.9(3) . . . . ?
Ru1 N1 C61 C51 175.18(15) . . . . ?
C41 C51 C61 N1 -1.2(3) . . . . ?
C11 P1 C71 C91 84.62(16) . . . . ?
C111 P1 C71 C91 -163.50(14) . . . . ?
Ru1 P1 C71 C91 -23.40(17) . . . . ?
C11 P1 C71 C81 -157.01(15) . . . . ?
C111 P1 C71 C81 -45.12(17) . . . . ?
Ru1 P1 C71 C81 94.97(15) . . . . ?
C11 P1 C71 C101 -33.24(17) . . . . ?
C111 P1 C71 C101 78.64(16) . . . . ?
Ru1 P1 C71 C101 -141.27(13) . . . . ?
C11 P1 C111 C121 -172.22(14) . . . . ?
C71 P1 C111 C121 75.88(15) . . . . ?
Ru1 P1 C111 C121 -65.89(15) . . . . ?
C11 P1 C111 C141 -52.40(15) . . . . ?
C71 P1 C111 C141 -164.29(13) . . . . ?
Ru1 P1 C111 C141 53.93(14) . . . . ?
C11 P1 C111 C131 65.92(16) . . . . ?
C71 P1 C111 C131 -45.97(16) . . . . ?
Ru1 P1 C111 C131 172.25(12) . . . . ?
C201 C151 C161 C171 -0.3(3) . . . . ?
Ru1 C151 C161 C171 54.45(17) . . . . ?
C201 C151 C161 Ru1 -54.74(16) . . . . ?
C151 C161 C171 C181 -0.6(3) . . . . ?
Ru1 C161 C171 C181 53.23(16) . . . . ?
C151 C161 C171 Ru1 -53.87(17) . . . . ?
C161 C171 C181 C191 2.3(3) . . . . ?
Ru1 C171 C181 C191 56.08(16) . . . . ?
C161 C171 C181 Ru1 -53.79(16) . . . . ?
C171 C181 C191 C201 -3.0(3) . . . . ?
Ru1 C181 C191 C201 53.42(16) . . . . ?
C171 C181 C191 Ru1 -56.42(16) . . . . ?
C161 C151 C201 C191 -0.4(3) . . . . ?
Ru1 C151 C201 C191 -55.50(16) . . . . ?
C161 C151 C201 Ru1 55.10(16) . . . . ?
C181 C191 C201 C151 2.0(3) . . . . ?
Ru1 C191 C201 C151 55.56(16) . . . . ?
C181 C191 C201 Ru1 -53.52(16) . . . . ?

_refine_diff_density_max         0.611
_refine_diff_density_min         -0.417
_refine_diff_density_rms         0.064


####################################################################### 
# 
# 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_l1291a
_audit_block_doi                 10.5517/ccdc.csd.cc2k2gfk
_database_code_depnum_ccdc_archive 'CCDC 2355858'
loop_
_citation_id
_citation_doi
_citation_year
1 10.26434/chemrxiv-2024-mttp6-v2 2025
loop_
_audit_author_name
_audit_author_address
'Martin Lutz'
;Utrecht University
Netherlands
;
_audit_update_record             
;
2024-05-16 deposited with the CCDC.	2025-06-23 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         'C28 H48 Cl2 N2 P2 Ru'
_chemical_formula_sum            'C28 H48 Cl2 N2 P2 Ru'
_chemical_formula_weight         646.59

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_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, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   17.0703(3)
_cell_length_b                   22.3344(5)
_cell_length_c                   16.3747(4)
_cell_angle_alpha                90
_cell_angle_beta                 98.020(1)
_cell_angle_gamma                90
_cell_volume                     6181.8(2)
_cell_formula_units_Z            8
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    133218
_cell_measurement_theta_min      1.51
_cell_measurement_theta_max      30.04

loop_
_diffrn_orient_matrix_type
_diffrn_orient_matrix_UB_11
_diffrn_orient_matrix_UB_12
_diffrn_orient_matrix_UB_13
_diffrn_orient_matrix_UB_21
_diffrn_orient_matrix_UB_22
_diffrn_orient_matrix_UB_23
_diffrn_orient_matrix_UB_31
_diffrn_orient_matrix_UB_32
_diffrn_orient_matrix_UB_33
'Nonius RMAT' -0.0384408 -0.0278928 0.0210073 -0.0297585 -0.0034639 -0.0569018
0.0337186 -0.0348563 -0.0111558

_exptl_crystal_description       block
_exptl_crystal_colour            orange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.389
_exptl_crystal_F_000             2704
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.21
_exptl_absorpt_coefficient_mu    0.803
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6844
_exptl_absorpt_correction_T_max  0.7460
_exptl_absorpt_process_details   
;
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'sealed tube'
_diffrn_measurement_device_type  'Bruker Kappa ApexII'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            198737
_diffrn_reflns_av_unetI/netI     0.0241
_diffrn_reflns_av_R_equivalents  0.0478
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         1.511
_diffrn_reflns_theta_max         29.998
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             18016
_reflns_number_gt                15032
_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       Apex3
_computing_cell_refinement       Peakref
_computing_data_reduction        'Eval15, Sadabs'
_computing_structure_solution    SHELXT
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_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)+(0.0271P)²+1.5507P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         18016
_refine_ls_number_parameters     655
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0317
_refine_ls_R_factor_gt           0.0230
_refine_ls_wR_factor_ref         0.0566
_refine_ls_wR_factor_gt          0.0542
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_restrained_S_all      1.035
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

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 0.73113(2) 0.12206(2) 0.49371(2) 0.01395(3) Uani 1 1 d . . . . .
Cl1 Cl 0.73165(2) 0.03449(2) 0.58245(2) 0.02066(7) Uani 1 1 d . . . . .
P1 P 0.74673(2) 0.07145(2) 0.36965(2) 0.01609(7) Uani 1 1 d . . . . .
N11 N 0.61308(7) 0.09748(5) 0.44740(7) 0.0179(2) Uani 1 1 d . . . . .
C11 C 0.55864(8) 0.08638(6) 0.49760(9) 0.0219(3) Uani 1 1 d . . . . .
H11 H 0.575833 0.082936 0.555132 0.026 Uiso 1 1 calc R U . . .
C21 C 0.47889(9) 0.07977(8) 0.46939(10) 0.0303(3) Uani 1 1 d . . . . .
H21 H 0.442290 0.072075 0.506831 0.036 Uiso 1 1 calc R U . . .
C31 C 0.45338(9) 0.08456(8) 0.38566(11) 0.0356(4) Uani 1 1 d . . . . .
H31 H 0.398630 0.082764 0.364815 0.043 Uiso 1 1 calc R U . . .
C41 C 0.50906(9) 0.09199(8) 0.33313(10) 0.0296(3) Uani 1 1 d . . . . .
H41 H 0.492973 0.093742 0.275257 0.035 Uiso 1 1 calc R U . . .
C51 C 0.58902(8) 0.09695(6) 0.36479(8) 0.0204(3) Uani 1 1 d . . . . .
C61 C 0.65215(8) 0.09726(7) 0.30997(8) 0.0212(3) Uani 1 1 d . . . . .
H61A H 0.658631 0.138226 0.288816 0.025 Uiso 1 1 calc R U . . .
H61B H 0.636971 0.070409 0.262285 0.025 Uiso 1 1 calc R U . . .
C71 C 0.82000(9) 0.09309(6) 0.29711(9) 0.0223(3) Uani 1 1 d . . . . .
C81 C 0.78562(11) 0.08877(7) 0.20500(9) 0.0308(3) Uani 1 1 d . . . . .
H81A H 0.743189 0.118288 0.192368 0.046 Uiso 1 1 calc R U . . .
H81B H 0.764358 0.048472 0.192994 0.046 Uiso 1 1 calc R U . . .
H81C H 0.827484 0.096791 0.171162 0.046 Uiso 1 1 calc R U . . .
C91 C 0.89596(9) 0.05556(7) 0.31221(11) 0.0315(4) Uani 1 1 d . . . . .
H91A H 0.935332 0.072242 0.280364 0.047 Uiso 1 1 calc R U . . .
H91B H 0.884126 0.014160 0.294860 0.047 Uiso 1 1 calc R U . . .
H91C H 0.916910 0.056308 0.371053 0.047 Uiso 1 1 calc R U . . .
C101 C 0.84304(9) 0.15862(7) 0.31498(9) 0.0257(3) Uani 1 1 d . . . . .
H10A H 0.865424 0.162896 0.373135 0.039 Uiso 1 1 calc R U . . .
H10B H 0.796004 0.184009 0.303147 0.039 Uiso 1 1 calc R U . . .
H10C H 0.882428 0.170847 0.280078 0.039 Uiso 1 1 calc R U . . .
C111 C 0.73569(9) -0.01353(6) 0.36418(8) 0.0205(3) Uani 1 1 d . . . . .
C121 C 0.73179(11) -0.03996(7) 0.27689(10) 0.0305(3) Uani 1 1 d . . . . .
H12A H 0.720694 -0.082962 0.278554 0.046 Uiso 1 1 calc R U . . .
H12B H 0.782552 -0.033675 0.256650 0.046 Uiso 1 1 calc R U . . .
H12C H 0.689652 -0.020074 0.239876 0.046 Uiso 1 1 calc R U . . .
C131 C 0.80374(9) -0.04350(6) 0.42104(10) 0.0252(3) Uani 1 1 d . . . . .
H13A H 0.802596 -0.030450 0.478004 0.038 Uiso 1 1 calc R U . . .
H13B H 0.854344 -0.032060 0.403719 0.038 Uiso 1 1 calc R U . . .
H13C H 0.797660 -0.087099 0.417658 0.038 Uiso 1 1 calc R U . . .
C141 C 0.65821(9) -0.03134(7) 0.39543(9) 0.0246(3) Uani 1 1 d . . . . .
H14A H 0.654100 -0.075089 0.396764 0.037 Uiso 1 1 calc R U . . .
H14B H 0.613267 -0.014981 0.358372 0.037 Uiso 1 1 calc R U . . .
H14C H 0.657812 -0.015329 0.451089 0.037 Uiso 1 1 calc R U . . .
Cl2 Cl 0.69986(2) 0.21362(2) 0.41697(2) 0.02191(7) Uani 1 1 d . . . . .
P2 P 0.85211(2) 0.15608(2) 0.56807(2) 0.01828(7) Uani 1 1 d . . . . .
N12 N 0.69143(7) 0.16775(5) 0.59516(7) 0.0183(2) Uani 1 1 d . . . . .
C12 C 0.61993(8) 0.19448(6) 0.58871(9) 0.0218(3) Uani 1 1 d . . . . .
H12 H 0.588997 0.196920 0.535885 0.026 Uiso 1 1 calc R U . . .
C22 C 0.58972(9) 0.21850(7) 0.65573(9) 0.0268(3) Uani 1 1 d . . . . .
H22 H 0.538739 0.236393 0.648966 0.032 Uiso 1 1 calc R U . . .
C32 C 0.63475(10) 0.21609(7) 0.73257(9) 0.0285(3) Uani 1 1 d . . . . .
H32 H 0.614540 0.230859 0.779878 0.034 Uiso 1 1 calc R U . . .
C42 C 0.70980(9) 0.19176(7) 0.73924(9) 0.0254(3) Uani 1 1 d . . . . .
H42 H 0.742397 0.190842 0.791225 0.030 Uiso 1 1 calc R U . . .
C52 C 0.73775(8) 0.16852(6) 0.66959(8) 0.0202(3) Uani 1 1 d . . . . .
C62 C 0.82133(8) 0.14773(7) 0.67173(8) 0.0222(3) Uani 1 1 d . . . . .
H62A H 0.825651 0.105226 0.688930 0.027 Uiso 1 1 calc R U . . .
H62B H 0.856635 0.171663 0.712380 0.027 Uiso 1 1 calc R U . . .
C72 C 0.94856(9) 0.11161(7) 0.58170(9) 0.0248(3) Uani 1 1 d . . . . .
C82 C 0.99494(10) 0.11423(8) 0.66958(11) 0.0347(4) Uani 1 1 d . . . . .
H82A H 0.962307 0.097716 0.708877 0.052 Uiso 1 1 calc R U . . .
H82B H 1.008320 0.155919 0.684054 0.052 Uiso 1 1 calc R U . . .
H82C H 1.043631 0.090701 0.671588 0.052 Uiso 1 1 calc R U . . .
C92 C 1.00288(9) 0.13155(8) 0.51932(11) 0.0323(4) Uani 1 1 d . . . . .
H92A H 1.046442 0.102919 0.519771 0.048 Uiso 1 1 calc R U . . .
H92B H 1.024340 0.171345 0.534462 0.048 Uiso 1 1 calc R U . . .
H92C H 0.972458 0.133080 0.463994 0.048 Uiso 1 1 calc R U . . .
C102 C 0.92647(9) 0.04597(7) 0.56420(10) 0.0280(3) Uani 1 1 d . . . . .
H10D H 0.974709 0.021691 0.568737 0.042 Uiso 1 1 calc R U . . .
H10E H 0.897546 0.042313 0.508364 0.042 Uiso 1 1 calc R U . . .
H10F H 0.893031 0.031882 0.604287 0.042 Uiso 1 1 calc R U . . .
C112 C 0.87950(9) 0.23903(7) 0.56757(10) 0.0268(3) Uani 1 1 d . . . . .
C122 C 0.95057(10) 0.25569(8) 0.63239(12) 0.0387(4) Uani 1 1 d . . . . .
H12D H 0.998778 0.237536 0.617210 0.058 Uiso 1 1 calc R U . . .
H12E H 0.941532 0.240806 0.686599 0.058 Uiso 1 1 calc R U . . .
H12F H 0.956583 0.299323 0.634569 0.058 Uiso 1 1 calc R U . . .
C132 C 0.89671(10) 0.25912(7) 0.48198(11) 0.0329(4) Uani 1 1 d . . . . .
H13D H 0.849820 0.252274 0.441221 0.049 Uiso 1 1 calc R U . . .
H13E H 0.941282 0.236051 0.466682 0.049 Uiso 1 1 calc R U . . .
H13F H 0.909981 0.301830 0.483527 0.049 Uiso 1 1 calc R U . . .
C142 C 0.80853(10) 0.27642(7) 0.58777(10) 0.0295(3) Uani 1 1 d . . . . .
H14D H 0.819288 0.319046 0.580479 0.044 Uiso 1 1 calc R U . . .
H14E H 0.800443 0.269054 0.644997 0.044 Uiso 1 1 calc R U . . .
H14F H 0.760848 0.264885 0.550646 0.044 Uiso 1 1 calc R U . . .
Ru2 Ru 0.32199(2) 0.10090(2) 0.06187(2) 0.01618(3) Uani 1 1 d . . . . .
Cl3 Cl 0.35693(2) 0.15825(2) 0.18825(2) 0.02410(7) Uani 1 1 d . . . . .
P3 P 0.27278(2) 0.18267(2) -0.02384(2) 0.02174(7) Uani 1 1 d . . . . .
N13 N 0.42796(7) 0.13646(5) 0.02464(8) 0.0220(2) Uani 1 1 d . . . . .
C13 C 0.49919(9) 0.13108(7) 0.07181(10) 0.0263(3) Uani 1 1 d . . . . .
H13 H 0.501005 0.115719 0.126143 0.032 Uiso 1 1 calc R U . . .
C23 C 0.56960(10) 0.14688(7) 0.04469(12) 0.0341(4) Uani 1 1 d . . . . .
H23 H 0.618587 0.141106 0.079139 0.041 Uiso 1 1 calc R U . . .
C33 C 0.56769(10) 0.17116(8) -0.03313(12) 0.0369(4) Uani 1 1 d . . . . .
H33 H 0.615246 0.181177 -0.053953 0.044 Uiso 1 1 calc R U . . .
C43 C 0.49503(10) 0.18051(7) -0.07987(11) 0.0327(4) Uani 1 1 d . . . . .
H43 H 0.492180 0.198972 -0.132471 0.039 Uiso 1 1 calc R U . . .
C53 C 0.42582(9) 0.16303(6) -0.05040(10) 0.0248(3) Uani 1 1 d . . . . .
C63 C 0.34590(9) 0.17580(7) -0.09715(9) 0.0267(3) Uani 1 1 d . . . . .
H63A H 0.330154 0.142978 -0.136680 0.032 Uiso 1 1 calc R U . . .
H63B H 0.347573 0.213476 -0.128711 0.032 Uiso 1 1 calc R U . . .
C73 C 0.17548(10) 0.18143(7) -0.09782(10) 0.0290(3) Uani 1 1 d . . . . .
C83 C 0.18231(11) 0.20832(9) -0.18355(11) 0.0406(4) Uani 1 1 d . . . . .
H83A H 0.219321 0.184339 -0.210611 0.061 Uiso 1 1 calc R U . . .
H83B H 0.201737 0.249568 -0.177024 0.061 Uiso 1 1 calc R U . . .
H83C H 0.130197 0.208081 -0.217357 0.061 Uiso 1 1 calc R U . . .
C93 C 0.10833(10) 0.21323(8) -0.06138(11) 0.0371(4) Uani 1 1 d . . . . .
H93A H 0.057634 0.204043 -0.094946 0.056 Uiso 1 1 calc R U . . .
H93B H 0.117258 0.256576 -0.061189 0.056 Uiso 1 1 calc R U . . .
H93C H 0.107305 0.199327 -0.004769 0.056 Uiso 1 1 calc R U . . .
C103 C 0.15164(10) 0.11573(7) -0.11055(10) 0.0317(4) Uani 1 1 d . . . . .
H10G H 0.144992 0.097767 -0.057345 0.048 Uiso 1 1 calc R U . . .
H10H H 0.192964 0.094165 -0.134481 0.048 Uiso 1 1 calc R U . . .
H10I H 0.101675 0.113160 -0.147974 0.048 Uiso 1 1 calc R U . . .
C113 C 0.28992(10) 0.26368(7) 0.01354(10) 0.0297(3) Uani 1 1 d . . . . .
C123 C 0.26942(12) 0.31147(8) -0.05394(12) 0.0409(4) Uani 1 1 d . . . . .
H12G H 0.212487 0.310469 -0.073431 0.061 Uiso 1 1 calc R U . . .
H12H H 0.298676 0.303205 -0.100105 0.061 Uiso 1 1 calc R U . . .
H12I H 0.284065 0.351145 -0.031178 0.061 Uiso 1 1 calc R U . . .
C133 C 0.24346(10) 0.27604(7) 0.08568(11) 0.0335(4) Uani 1 1 d . . . . .
H13G H 0.256107 0.316287 0.107451 0.050 Uiso 1 1 calc R U . . .
H13H H 0.258040 0.246417 0.129308 0.050 Uiso 1 1 calc R U . . .
H13I H 0.186614 0.273286 0.066270 0.050 Uiso 1 1 calc R U . . .
C143 C 0.37836(10) 0.27203(7) 0.04694(12) 0.0347(4) Uani 1 1 d . . . . .
H14G H 0.386283 0.311270 0.073595 0.052 Uiso 1 1 calc R U . . .
H14H H 0.409669 0.269607 0.001237 0.052 Uiso 1 1 calc R U . . .
H14I H 0.395266 0.240513 0.087209 0.052 Uiso 1 1 calc R U . . .
Cl4 Cl 0.32142(2) 0.03644(2) -0.05735(2) 0.02310(7) Uani 1 1 d . . . . .
P4 P 0.22027(2) 0.04902(2) 0.11914(2) 0.01792(7) Uani 1 1 d . . . . .
N14 N 0.38627(7) 0.02986(5) 0.12944(7) 0.0183(2) Uani 1 1 d . . . . .
C14 C 0.45287(8) 0.00615(6) 0.10680(9) 0.0225(3) Uani 1 1 d . . . . .
H14 H 0.469022 0.019323 0.056567 0.027 Uiso 1 1 calc R U . . .
C24 C 0.49863(9) -0.03615(7) 0.15266(10) 0.0270(3) Uani 1 1 d . . . . .
H24 H 0.545821 -0.050746 0.135107 0.032 Uiso 1 1 calc R U . . .
C34 C 0.47439(9) -0.05691(7) 0.22486(10) 0.0287(3) Uani 1 1 d . . . . .
H34 H 0.505287 -0.085342 0.258409 0.034 Uiso 1 1 calc R U . . .
C44 C 0.40449(9) -0.03549(7) 0.24711(9) 0.0251(3) Uani 1 1 d . . . . .
H44 H 0.385901 -0.050075 0.295420 0.030 Uiso 1 1 calc R U . . .
C54 C 0.36128(8) 0.00767(6) 0.19832(8) 0.0197(3) Uani 1 1 d . . . . .
C64 C 0.28208(8) 0.02814(7) 0.21666(8) 0.0216(3) Uani 1 1 d . . . . .
H64A H 0.288545 0.063038 0.254278 0.026 Uiso 1 1 calc R U . . .
H64B H 0.256171 -0.004387 0.244068 0.026 Uiso 1 1 calc R U . . .
C74 C 0.13371(8) 0.08685(7) 0.16136(9) 0.0249(3) Uani 1 1 d . . . . .
C84 C 0.11609(10) 0.06068(9) 0.24413(11) 0.0375(4) Uani 1 1 d . . . . .
H84A H 0.073555 0.083720 0.263764 0.056 Uiso 1 1 calc R U . . .
H84B H 0.163824 0.062923 0.284893 0.056 Uiso 1 1 calc R U . . .
H84C H 0.099690 0.018785 0.236268 0.056 Uiso 1 1 calc R U . . .
C94 C 0.05755(9) 0.08503(8) 0.09902(11) 0.0335(4) Uani 1 1 d . . . . .
H94A H 0.016237 0.108411 0.120322 0.050 Uiso 1 1 calc R U . . .
H94B H 0.039925 0.043447 0.090567 0.050 Uiso 1 1 calc R U . . .
H94C H 0.067931 0.102058 0.046423 0.050 Uiso 1 1 calc R U . . .
C104 C 0.15669(9) 0.15255(7) 0.17637(11) 0.0314(4) Uani 1 1 d . . . . .
H10J H 0.167760 0.170666 0.124683 0.047 Uiso 1 1 calc R U . . .
H10K H 0.203996 0.155027 0.217689 0.047 Uiso 1 1 calc R U . . .
H10L H 0.113048 0.174028 0.196355 0.047 Uiso 1 1 calc R U . . .
C114 C 0.18388(9) -0.02759(7) 0.07657(9) 0.0235(3) Uani 1 1 d . . . . .
C124 C 0.12996(10) -0.06012(8) 0.13037(11) 0.0351(4) Uani 1 1 d . . . . .
H12J H 0.080013 -0.038196 0.128541 0.053 Uiso 1 1 calc R U . . .
H12K H 0.156365 -0.062027 0.187425 0.053 Uiso 1 1 calc R U . . .
H12L H 0.119223 -0.100805 0.109330 0.053 Uiso 1 1 calc R U . . .
C134 C 0.13976(9) -0.02202(7) -0.01151(10) 0.0283(3) Uani 1 1 d . . . . .
H13J H 0.121847 -0.061701 -0.031757 0.042 Uiso 1 1 calc R U . . .
H13K H 0.175368 -0.005194 -0.047614 0.042 Uiso 1 1 calc R U . . .
H13L H 0.093925 0.004376 -0.011365 0.042 Uiso 1 1 calc R U . . .
C144 C 0.25527(9) -0.06944(7) 0.07273(10) 0.0268(3) Uani 1 1 d . . . . .
H14J H 0.237107 -0.106695 0.044624 0.040 Uiso 1 1 calc R U . . .
H14K H 0.280496 -0.078531 0.128843 0.040 Uiso 1 1 calc R U . . .
H14L H 0.293508 -0.049664 0.042299 0.040 Uiso 1 1 calc R U . . .


_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 N11 2.1238(11) . ?
Ru1 N12 2.1388(11) . ?
Ru1 P2 2.3713(4) . ?
Ru1 P1 2.3720(4) . ?
Ru1 Cl2 2.4204(3) . ?
Ru1 Cl1 2.4358(3) . ?
P1 C61 1.8584(14) . ?
P1 C71 1.9035(14) . ?
P1 C111 1.9082(14) . ?
N11 C11 1.3468(18) . ?
N11 C51 1.3578(17) . ?
C11 C21 1.383(2) . ?
C11 H11 0.9500 . ?
C21 C31 1.384(2) . ?
C21 H21 0.9500 . ?
C31 C41 1.378(2) . ?
C31 H31 0.9500 . ?
C41 C51 1.395(2) . ?
C41 H41 0.9500 . ?
C51 C61 1.496(2) . ?
C61 H61A 0.9900 . ?
C61 H61B 0.9900 . ?
C71 C101 1.533(2) . ?
C71 C91 1.535(2) . ?
C71 C81 1.543(2) . ?
C81 H81A 0.9800 . ?
C81 H81B 0.9800 . ?
C81 H81C 0.9800 . ?
C91 H91A 0.9800 . ?
C91 H91B 0.9800 . ?
C91 H91C 0.9800 . ?
C101 H10A 0.9800 . ?
C101 H10B 0.9800 . ?
C101 H10C 0.9800 . ?
C111 C141 1.536(2) . ?
C111 C131 1.537(2) . ?
C111 C121 1.539(2) . ?
C121 H12A 0.9800 . ?
C121 H12B 0.9800 . ?
C121 H12C 0.9800 . ?
C131 H13A 0.9800 . ?
C131 H13B 0.9800 . ?
C131 H13C 0.9800 . ?
C141 H14A 0.9800 . ?
C141 H14B 0.9800 . ?
C141 H14C 0.9800 . ?
P2 C62 1.8550(15) . ?
P2 C72 1.9089(15) . ?
P2 C112 1.9109(15) . ?
N12 C12 1.3495(18) . ?
N12 C52 1.3571(17) . ?
C12 C22 1.384(2) . ?
C12 H12 0.9500 . ?
C22 C32 1.381(2) . ?
C22 H22 0.9500 . ?
C32 C42 1.382(2) . ?
C32 H32 0.9500 . ?
C42 C52 1.3962(19) . ?
C42 H42 0.9500 . ?
C52 C62 1.496(2) . ?
C62 H62A 0.9900 . ?
C62 H62B 0.9900 . ?
C72 C102 1.531(2) . ?
C72 C92 1.538(2) . ?
C72 C82 1.544(2) . ?
C82 H82A 0.9800 . ?
C82 H82B 0.9800 . ?
C82 H82C 0.9800 . ?
C92 H92A 0.9800 . ?
C92 H92B 0.9800 . ?
C92 H92C 0.9800 . ?
C102 H10D 0.9800 . ?
C102 H10E 0.9800 . ?
C102 H10F 0.9800 . ?
C112 C132 1.538(2) . ?
C112 C122 1.542(2) . ?
C112 C142 1.545(2) . ?
C122 H12D 0.9800 . ?
C122 H12E 0.9800 . ?
C122 H12F 0.9800 . ?
C132 H13D 0.9800 . ?
C132 H13E 0.9800 . ?
C132 H13F 0.9800 . ?
C142 H14D 0.9800 . ?
C142 H14E 0.9800 . ?
C142 H14F 0.9800 . ?
Ru2 N13 2.1407(12) . ?
Ru2 N14 2.1463(12) . ?
Ru2 P3 2.3837(4) . ?
Ru2 P4 2.3855(4) . ?
Ru2 Cl4 2.4245(3) . ?
Ru2 Cl3 2.4361(3) . ?
P3 C63 1.8548(16) . ?
P3 C73 1.9145(16) . ?
P3 C113 1.9193(16) . ?
N13 C13 1.3519(19) . ?
N13 C53 1.3604(19) . ?
C13 C23 1.384(2) . ?
C13 H13 0.9500 . ?
C23 C33 1.381(3) . ?
C23 H23 0.9500 . ?
C33 C43 1.380(3) . ?
C33 H33 0.9500 . ?
C43 C53 1.393(2) . ?
C43 H43 0.9500 . ?
C53 C63 1.496(2) . ?
C63 H63A 0.9900 . ?
C63 H63B 0.9900 . ?
C73 C103 1.529(2) . ?
C73 C93 1.538(2) . ?
C73 C83 1.546(2) . ?
C83 H83A 0.9800 . ?
C83 H83B 0.9800 . ?
C83 H83C 0.9800 . ?
C93 H93A 0.9800 . ?
C93 H93B 0.9800 . ?
C93 H93C 0.9800 . ?
C103 H10G 0.9800 . ?
C103 H10H 0.9800 . ?
C103 H10I 0.9800 . ?
C113 C133 1.537(2) . ?
C113 C123 1.541(2) . ?
C113 C143 1.544(2) . ?
C123 H12G 0.9800 . ?
C123 H12H 0.9800 . ?
C123 H12I 0.9800 . ?
C133 H13G 0.9800 . ?
C133 H13H 0.9800 . ?
C133 H13I 0.9800 . ?
C143 H14G 0.9800 . ?
C143 H14H 0.9800 . ?
C143 H14I 0.9800 . ?
P4 C64 1.8468(14) . ?
P4 C74 1.9133(15) . ?
P4 C114 1.9180(15) . ?
N14 C14 1.3520(18) . ?
N14 C54 1.3544(18) . ?
C14 C24 1.379(2) . ?
C14 H14 0.9500 . ?
C24 C34 1.386(2) . ?
C24 H24 0.9500 . ?
C34 C44 1.381(2) . ?
C34 H34 0.9500 . ?
C44 C54 1.395(2) . ?
C44 H44 0.9500 . ?
C54 C64 1.4968(19) . ?
C64 H64A 0.9900 . ?
C64 H64B 0.9900 . ?
C74 C104 1.530(2) . ?
C74 C94 1.537(2) . ?
C74 C84 1.544(2) . ?
C84 H84A 0.9800 . ?
C84 H84B 0.9800 . ?
C84 H84C 0.9800 . ?
C94 H94A 0.9800 . ?
C94 H94B 0.9800 . ?
C94 H94C 0.9800 . ?
C104 H10J 0.9800 . ?
C104 H10K 0.9800 . ?
C104 H10L 0.9800 . ?
C114 C134 1.536(2) . ?
C114 C124 1.542(2) . ?
C114 C144 1.544(2) . ?
C124 H12J 0.9800 . ?
C124 H12K 0.9800 . ?
C124 H12L 0.9800 . ?
C134 H13J 0.9800 . ?
C134 H13K 0.9800 . ?
C134 H13L 0.9800 . ?
C144 H14J 0.9800 . ?
C144 H14K 0.9800 . ?
C144 H14L 0.9800 . ?

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
N11 Ru1 N12 90.74(4) . . ?
N11 Ru1 P2 168.84(3) . . ?
N12 Ru1 P2 78.23(3) . . ?
N11 Ru1 P1 77.60(3) . . ?
N12 Ru1 P1 168.00(3) . . ?
P2 Ru1 P1 113.495(13) . . ?
N11 Ru1 Cl2 84.46(3) . . ?
N12 Ru1 Cl2 85.95(3) . . ?
P2 Ru1 Cl2 96.265(13) . . ?
P1 Ru1 Cl2 90.055(12) . . ?
N11 Ru1 Cl1 85.97(3) . . ?
N12 Ru1 Cl1 83.97(3) . . ?
P2 Ru1 Cl1 91.175(12) . . ?
P1 Ru1 Cl1 97.861(12) . . ?
Cl2 Ru1 Cl1 165.990(13) . . ?
C61 P1 C71 101.04(6) . . ?
C61 P1 C111 102.18(7) . . ?
C71 P1 C111 107.01(6) . . ?
C61 P1 Ru1 96.28(4) . . ?
C71 P1 Ru1 125.13(5) . . ?
C111 P1 Ru1 119.47(4) . . ?
C11 N11 C51 117.88(12) . . ?
C11 N11 Ru1 122.07(9) . . ?
C51 N11 Ru1 119.87(9) . . ?
N11 C11 C21 123.15(14) . . ?
N11 C11 H11 118.4 . . ?
C21 C11 H11 118.4 . . ?
C11 C21 C31 118.79(15) . . ?
C11 C21 H21 120.6 . . ?
C31 C21 H21 120.6 . . ?
C41 C31 C21 118.60(14) . . ?
C41 C31 H31 120.7 . . ?
C21 C31 H31 120.7 . . ?
C31 C41 C51 120.13(14) . . ?
C31 C41 H41 119.9 . . ?
C51 C41 H41 119.9 . . ?
N11 C51 C41 121.01(13) . . ?
N11 C51 C61 117.04(12) . . ?
C41 C51 C61 121.79(13) . . ?
C51 C61 P1 109.20(9) . . ?
C51 C61 H61A 109.8 . . ?
P1 C61 H61A 109.8 . . ?
C51 C61 H61B 109.8 . . ?
P1 C61 H61B 109.8 . . ?
H61A C61 H61B 108.3 . . ?
C101 C71 C91 107.59(13) . . ?
C101 C71 C81 107.38(12) . . ?
C91 C71 C81 108.71(13) . . ?
C101 C71 P1 107.26(10) . . ?
C91 C71 P1 112.00(10) . . ?
C81 C71 P1 113.61(11) . . ?
C71 C81 H81A 109.5 . . ?
C71 C81 H81B 109.5 . . ?
H81A C81 H81B 109.5 . . ?
C71 C81 H81C 109.5 . . ?
H81A C81 H81C 109.5 . . ?
H81B C81 H81C 109.5 . . ?
C71 C91 H91A 109.5 . . ?
C71 C91 H91B 109.5 . . ?
H91A C91 H91B 109.5 . . ?
C71 C91 H91C 109.5 . . ?
H91A C91 H91C 109.5 . . ?
H91B C91 H91C 109.5 . . ?
C71 C101 H10A 109.5 . . ?
C71 C101 H10B 109.5 . . ?
H10A C101 H10B 109.5 . . ?
C71 C101 H10C 109.5 . . ?
H10A C101 H10C 109.5 . . ?
H10B C101 H10C 109.5 . . ?
C141 C111 C131 107.38(12) . . ?
C141 C111 C121 106.40(12) . . ?
C131 C111 C121 109.07(12) . . ?
C141 C111 P1 109.03(10) . . ?
C131 C111 P1 110.08(10) . . ?
C121 C111 P1 114.59(10) . . ?
C111 C121 H12A 109.5 . . ?
C111 C121 H12B 109.5 . . ?
H12A C121 H12B 109.5 . . ?
C111 C121 H12C 109.5 . . ?
H12A C121 H12C 109.5 . . ?
H12B C121 H12C 109.5 . . ?
C111 C131 H13A 109.5 . . ?
C111 C131 H13B 109.5 . . ?
H13A C131 H13B 109.5 . . ?
C111 C131 H13C 109.5 . . ?
H13A C131 H13C 109.5 . . ?
H13B C131 H13C 109.5 . . ?
C111 C141 H14A 109.5 . . ?
C111 C141 H14B 109.5 . . ?
H14A C141 H14B 109.5 . . ?
C111 C141 H14C 109.5 . . ?
H14A C141 H14C 109.5 . . ?
H14B C141 H14C 109.5 . . ?
C62 P2 C72 100.98(7) . . ?
C62 P2 C112 101.66(7) . . ?
C72 P2 C112 107.30(7) . . ?
C62 P2 Ru1 95.74(5) . . ?
C72 P2 Ru1 124.64(5) . . ?
C112 P2 Ru1 120.29(5) . . ?
C12 N12 C52 118.16(12) . . ?
C12 N12 Ru1 122.10(9) . . ?
C52 N12 Ru1 119.70(9) . . ?
N12 C12 C22 122.84(13) . . ?
N12 C12 H12 118.6 . . ?
C22 C12 H12 118.6 . . ?
C32 C22 C12 119.06(14) . . ?
C32 C22 H22 120.5 . . ?
C12 C22 H22 120.5 . . ?
C22 C32 C42 118.64(14) . . ?
C22 C32 H32 120.7 . . ?
C42 C32 H32 120.7 . . ?
C32 C42 C52 120.02(14) . . ?
C32 C42 H42 120.0 . . ?
C52 C42 H42 120.0 . . ?
N12 C52 C42 121.04(13) . . ?
N12 C52 C62 116.83(12) . . ?
C42 C52 C62 121.98(13) . . ?
C52 C62 P2 109.77(9) . . ?
C52 C62 H62A 109.7 . . ?
P2 C62 H62A 109.7 . . ?
C52 C62 H62B 109.7 . . ?
P2 C62 H62B 109.7 . . ?
H62A C62 H62B 108.2 . . ?
C102 C72 C92 107.97(13) . . ?
C102 C72 C82 106.95(13) . . ?
C92 C72 C82 109.26(13) . . ?
C102 C72 P2 106.89(10) . . ?
C92 C72 P2 111.21(11) . . ?
C82 C72 P2 114.27(11) . . ?
C72 C82 H82A 109.5 . . ?
C72 C82 H82B 109.5 . . ?
H82A C82 H82B 109.5 . . ?
C72 C82 H82C 109.5 . . ?
H82A C82 H82C 109.5 . . ?
H82B C82 H82C 109.5 . . ?
C72 C92 H92A 109.5 . . ?
C72 C92 H92B 109.5 . . ?
H92A C92 H92B 109.5 . . ?
C72 C92 H92C 109.5 . . ?
H92A C92 H92C 109.5 . . ?
H92B C92 H92C 109.5 . . ?
C72 C102 H10D 109.5 . . ?
C72 C102 H10E 109.5 . . ?
H10D C102 H10E 109.5 . . ?
C72 C102 H10F 109.5 . . ?
H10D C102 H10F 109.5 . . ?
H10E C102 H10F 109.5 . . ?
C132 C112 C122 108.95(14) . . ?
C132 C112 C142 107.01(13) . . ?
C122 C112 C142 106.70(13) . . ?
C132 C112 P2 111.39(11) . . ?
C122 C112 P2 113.61(11) . . ?
C142 C112 P2 108.88(10) . . ?
C112 C122 H12D 109.5 . . ?
C112 C122 H12E 109.5 . . ?
H12D C122 H12E 109.5 . . ?
C112 C122 H12F 109.5 . . ?
H12D C122 H12F 109.5 . . ?
H12E C122 H12F 109.5 . . ?
C112 C132 H13D 109.5 . . ?
C112 C132 H13E 109.5 . . ?
H13D C132 H13E 109.5 . . ?
C112 C132 H13F 109.5 . . ?
H13D C132 H13F 109.5 . . ?
H13E C132 H13F 109.5 . . ?
C112 C142 H14D 109.5 . . ?
C112 C142 H14E 109.5 . . ?
H14D C142 H14E 109.5 . . ?
C112 C142 H14F 109.5 . . ?
H14D C142 H14F 109.5 . . ?
H14E C142 H14F 109.5 . . ?
N13 Ru2 N14 91.69(4) . . ?
N13 Ru2 P3 77.90(3) . . ?
N14 Ru2 P3 169.33(3) . . ?
N13 Ru2 P4 169.26(3) . . ?
N14 Ru2 P4 77.65(3) . . ?
P3 Ru2 P4 112.805(13) . . ?
N13 Ru2 Cl4 84.24(3) . . ?
N14 Ru2 Cl4 85.44(3) . . ?
P3 Ru2 Cl4 91.108(13) . . ?
P4 Ru2 Cl4 96.129(12) . . ?
N13 Ru2 Cl3 86.01(3) . . ?
N14 Ru2 Cl3 84.48(3) . . ?
P3 Ru2 Cl3 96.989(13) . . ?
P4 Ru2 Cl3 91.539(13) . . ?
Cl4 Ru2 Cl3 165.741(13) . . ?
C63 P3 C73 101.07(7) . . ?
C63 P3 C113 101.42(7) . . ?
C73 P3 C113 107.19(7) . . ?
C63 P3 Ru2 95.97(5) . . ?
C73 P3 Ru2 124.39(5) . . ?
C113 P3 Ru2 120.60(5) . . ?
C13 N13 C53 117.61(13) . . ?
C13 N13 Ru2 122.19(10) . . ?
C53 N13 Ru2 120.12(10) . . ?
N13 C13 C23 123.10(15) . . ?
N13 C13 H13 118.4 . . ?
C23 C13 H13 118.4 . . ?
C33 C23 C13 119.11(16) . . ?
C33 C23 H23 120.4 . . ?
C13 C23 H23 120.4 . . ?
C43 C33 C23 118.36(15) . . ?
C43 C33 H33 120.8 . . ?
C23 C33 H33 120.8 . . ?
C33 C43 C53 120.38(16) . . ?
C33 C43 H43 119.8 . . ?
C53 C43 H43 119.8 . . ?
N13 C53 C43 121.20(15) . . ?
N13 C53 C63 116.94(13) . . ?
C43 C53 C63 121.77(14) . . ?
C53 C63 P3 109.43(10) . . ?
C53 C63 H63A 109.8 . . ?
P3 C63 H63A 109.8 . . ?
C53 C63 H63B 109.8 . . ?
P3 C63 H63B 109.8 . . ?
H63A C63 H63B 108.2 . . ?
C103 C73 C93 107.29(14) . . ?
C103 C73 C83 107.53(14) . . ?
C93 C73 C83 109.13(14) . . ?
C103 C73 P3 106.92(10) . . ?
C93 C73 P3 112.06(11) . . ?
C83 C73 P3 113.59(12) . . ?
C73 C83 H83A 109.5 . . ?
C73 C83 H83B 109.5 . . ?
H83A C83 H83B 109.5 . . ?
C73 C83 H83C 109.5 . . ?
H83A C83 H83C 109.5 . . ?
H83B C83 H83C 109.5 . . ?
C73 C93 H93A 109.5 . . ?
C73 C93 H93B 109.5 . . ?
H93A C93 H93B 109.5 . . ?
C73 C93 H93C 109.5 . . ?
H93A C93 H93C 109.5 . . ?
H93B C93 H93C 109.5 . . ?
C73 C103 H10G 109.5 . . ?
C73 C103 H10H 109.5 . . ?
H10G C103 H10H 109.5 . . ?
C73 C103 H10I 109.5 . . ?
H10G C103 H10I 109.5 . . ?
H10H C103 H10I 109.5 . . ?
C133 C113 C123 109.68(14) . . ?
C133 C113 C143 106.85(14) . . ?
C123 C113 C143 106.46(14) . . ?
C133 C113 P3 110.02(11) . . ?
C123 C113 P3 114.53(12) . . ?
C143 C113 P3 108.96(11) . . ?
C113 C123 H12G 109.5 . . ?
C113 C123 H12H 109.5 . . ?
H12G C123 H12H 109.5 . . ?
C113 C123 H12I 109.5 . . ?
H12G C123 H12I 109.5 . . ?
H12H C123 H12I 109.5 . . ?
C113 C133 H13G 109.5 . . ?
C113 C133 H13H 109.5 . . ?
H13G C133 H13H 109.5 . . ?
C113 C133 H13I 109.5 . . ?
H13G C133 H13I 109.5 . . ?
H13H C133 H13I 109.5 . . ?
C113 C143 H14G 109.5 . . ?
C113 C143 H14H 109.5 . . ?
H14G C143 H14H 109.5 . . ?
C113 C143 H14I 109.5 . . ?
H14G C143 H14I 109.5 . . ?
H14H C143 H14I 109.5 . . ?
C64 P4 C74 100.13(7) . . ?
C64 P4 C114 101.89(7) . . ?
C74 P4 C114 107.33(7) . . ?
C64 P4 Ru2 95.93(5) . . ?
C74 P4 Ru2 124.66(5) . . ?
C114 P4 Ru2 120.47(5) . . ?
C14 N14 C54 117.36(12) . . ?
C14 N14 Ru2 122.50(10) . . ?
C54 N14 Ru2 120.14(9) . . ?
N14 C14 C24 123.57(14) . . ?
N14 C14 H14 118.2 . . ?
C24 C14 H14 118.2 . . ?
C14 C24 C34 118.67(14) . . ?
C14 C24 H24 120.7 . . ?
C34 C24 H24 120.7 . . ?
C44 C34 C24 118.76(14) . . ?
C44 C34 H34 120.6 . . ?
C24 C34 H34 120.6 . . ?
C34 C44 C54 119.69(14) . . ?
C34 C44 H44 120.2 . . ?
C54 C44 H44 120.2 . . ?
N14 C54 C44 121.80(13) . . ?
N14 C54 C64 116.97(12) . . ?
C44 C54 C64 121.08(13) . . ?
C54 C64 P4 109.07(10) . . ?
C54 C64 H64A 109.9 . . ?
P4 C64 H64A 109.9 . . ?
C54 C64 H64B 109.9 . . ?
P4 C64 H64B 109.9 . . ?
H64A C64 H64B 108.3 . . ?
C104 C74 C94 107.84(13) . . ?
C104 C74 C84 107.40(13) . . ?
C94 C74 C84 108.82(13) . . ?
C104 C74 P4 106.73(10) . . ?
C94 C74 P4 111.87(11) . . ?
C84 C74 P4 113.89(11) . . ?
C74 C84 H84A 109.5 . . ?
C74 C84 H84B 109.5 . . ?
H84A C84 H84B 109.5 . . ?
C74 C84 H84C 109.5 . . ?
H84A C84 H84C 109.5 . . ?
H84B C84 H84C 109.5 . . ?
C74 C94 H94A 109.5 . . ?
C74 C94 H94B 109.5 . . ?
H94A C94 H94B 109.5 . . ?
C74 C94 H94C 109.5 . . ?
H94A C94 H94C 109.5 . . ?
H94B C94 H94C 109.5 . . ?
C74 C104 H10J 109.5 . . ?
C74 C104 H10K 109.5 . . ?
H10J C104 H10K 109.5 . . ?
C74 C104 H10L 109.5 . . ?
H10J C104 H10L 109.5 . . ?
H10K C104 H10L 109.5 . . ?
C134 C114 C124 108.73(13) . . ?
C134 C114 C144 107.28(12) . . ?
C124 C114 C144 105.99(13) . . ?
C134 C114 P4 111.13(10) . . ?
C124 C114 P4 113.68(11) . . ?
C144 C114 P4 109.72(10) . . ?
C114 C124 H12J 109.5 . . ?
C114 C124 H12K 109.5 . . ?
H12J C124 H12K 109.5 . . ?
C114 C124 H12L 109.5 . . ?
H12J C124 H12L 109.5 . . ?
H12K C124 H12L 109.5 . . ?
C114 C134 H13J 109.5 . . ?
C114 C134 H13K 109.5 . . ?
H13J C134 H13K 109.5 . . ?
C114 C134 H13L 109.5 . . ?
H13J C134 H13L 109.5 . . ?
H13K C134 H13L 109.5 . . ?
C114 C144 H14J 109.5 . . ?
C114 C144 H14K 109.5 . . ?
H14J C144 H14K 109.5 . . ?
C114 C144 H14L 109.5 . . ?
H14J C144 H14L 109.5 . . ?
H14K C144 H14L 109.5 . . ?

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
C51 N11 C11 C21 -5.8(2) . . . . ?
Ru1 N11 C11 C21 169.30(12) . . . . ?
N11 C11 C21 C31 0.2(2) . . . . ?
C11 C21 C31 C41 4.0(3) . . . . ?
C21 C31 C41 C51 -2.6(3) . . . . ?
C11 N11 C51 C41 7.3(2) . . . . ?
Ru1 N11 C51 C41 -167.97(11) . . . . ?
C11 N11 C51 C61 -168.27(13) . . . . ?
Ru1 N11 C51 C61 16.49(16) . . . . ?
C31 C41 C51 N11 -3.2(2) . . . . ?
C31 C41 C51 C61 172.12(15) . . . . ?
N11 C51 C61 P1 19.97(16) . . . . ?
C41 C51 C61 P1 -155.53(12) . . . . ?
C71 P1 C61 C51 -167.20(10) . . . . ?
C111 P1 C61 C51 82.49(11) . . . . ?
Ru1 P1 C61 C51 -39.52(10) . . . . ?
C52 N12 C12 C22 -5.0(2) . . . . ?
Ru1 N12 C12 C22 172.72(11) . . . . ?
N12 C12 C22 C32 1.1(2) . . . . ?
C12 C22 C32 C42 2.5(2) . . . . ?
C22 C32 C42 C52 -2.0(2) . . . . ?
C12 N12 C52 C42 5.3(2) . . . . ?
Ru1 N12 C52 C42 -172.40(11) . . . . ?
C12 N12 C52 C62 -170.18(13) . . . . ?
Ru1 N12 C52 C62 12.08(16) . . . . ?
C32 C42 C52 N12 -1.9(2) . . . . ?
C32 C42 C52 C62 173.34(14) . . . . ?
N12 C52 C62 P2 23.65(16) . . . . ?
C42 C52 C62 P2 -151.82(12) . . . . ?
C72 P2 C62 C52 -168.06(10) . . . . ?
C112 P2 C62 C52 81.49(11) . . . . ?
Ru1 P2 C62 C52 -41.08(10) . . . . ?
C53 N13 C13 C23 -5.2(2) . . . . ?
Ru2 N13 C13 C23 171.58(12) . . . . ?
N13 C13 C23 C33 2.2(2) . . . . ?
C13 C23 C33 C43 2.1(2) . . . . ?
C23 C33 C43 C53 -3.1(2) . . . . ?
C13 N13 C53 C43 4.1(2) . . . . ?
Ru2 N13 C53 C43 -172.77(11) . . . . ?
C13 N13 C53 C63 -172.33(13) . . . . ?
Ru2 N13 C53 C63 10.77(17) . . . . ?
C33 C43 C53 N13 0.0(2) . . . . ?
C33 C43 C53 C63 176.25(15) . . . . ?
N13 C53 C63 P3 24.76(16) . . . . ?
C43 C53 C63 P3 -151.68(13) . . . . ?
C73 P3 C63 C53 -168.23(11) . . . . ?
C113 P3 C63 C53 81.48(11) . . . . ?
Ru2 P3 C63 C53 -41.42(10) . . . . ?
C54 N14 C14 C24 -4.3(2) . . . . ?
Ru2 N14 C14 C24 174.69(11) . . . . ?
N14 C14 C24 C34 1.8(2) . . . . ?
C14 C24 C34 C44 1.5(2) . . . . ?
C24 C34 C44 C54 -2.0(2) . . . . ?
C14 N14 C54 C44 3.6(2) . . . . ?
Ru2 N14 C54 C44 -175.38(10) . . . . ?
C14 N14 C54 C64 -171.99(12) . . . . ?
Ru2 N14 C54 C64 8.99(16) . . . . ?
C34 C44 C54 N14 -0.6(2) . . . . ?
C34 C44 C54 C64 174.88(14) . . . . ?
N14 C54 C64 P4 26.71(16) . . . . ?
C44 C54 C64 P4 -148.95(12) . . . . ?
C74 P4 C64 C54 -169.47(10) . . . . ?
C114 P4 C64 C54 80.24(11) . . . . ?
Ru2 P4 C64 C54 -42.64(10) . . . . ?

_refine_diff_density_max         0.461
_refine_diff_density_min         -0.370
_refine_diff_density_rms         0.061



####################################################################### 
# 
# 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_l1319a
_audit_block_doi                 10.5517/ccdc.csd.cc2k2gdj
_database_code_depnum_ccdc_archive 'CCDC 2355857'
loop_
_citation_id
_citation_doi
_citation_year
1 10.26434/chemrxiv-2024-mttp6-v2 2025
loop_
_audit_author_name
_audit_author_address
'Martin Lutz'
;Utrecht University
Netherlands
;
_audit_update_record             
;
2024-05-16 deposited with the CCDC.	2025-06-23 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         'C26 H47 N2 P Ru Si2'
_chemical_formula_sum            'C26 H47 N2 P Ru Si2'
_chemical_formula_weight         575.87

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'
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'
Si Si 0.0817 0.0704 '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/c'
_space_group_name_Hall           '-P 2ybc'

_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, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   13.9298(4)
_cell_length_b                   16.2626(4)
_cell_length_c                   13.8275(4)
_cell_angle_alpha                90
_cell_angle_beta                 112.534(2)
_cell_angle_gamma                90
_cell_volume                     2893.25(15)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    37688
_cell_measurement_theta_min      1.19
_cell_measurement_theta_max      27.54

loop_
_diffrn_orient_matrix_type
_diffrn_orient_matrix_UB_11
_diffrn_orient_matrix_UB_12
_diffrn_orient_matrix_UB_13
_diffrn_orient_matrix_UB_21
_diffrn_orient_matrix_UB_22
_diffrn_orient_matrix_UB_23
_diffrn_orient_matrix_UB_31
_diffrn_orient_matrix_UB_32
_diffrn_orient_matrix_UB_33
'Nonius RMAT' -0.0260393 -0.0564893 -0.0251531 -0.0585059 0.0078111 0.0241276
-0.0441321 0.0229752 -0.0700468

_exptl_crystal_description       block
_exptl_crystal_colour            orange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.322
_exptl_crystal_F_000             1216
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.41
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.17
_exptl_absorpt_coefficient_mu    0.696
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6780
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_process_details   
;
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'sealed tube'
_diffrn_measurement_device_type  'Bruker Kappa ApexII'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            41381
_diffrn_reflns_av_unetI/netI     0.0125
_diffrn_reflns_av_R_equivalents  0.0208
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         2.018
_diffrn_reflns_theta_max         27.530
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             6635
_reflns_number_gt                6179
_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       Apex3
_computing_cell_refinement       Peakref
_computing_data_reduction        'Eval15, Sadabs'
_computing_structure_solution    SHELXT
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_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)+(0.0229P)²+1.6807P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   difmap
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         6635
_refine_ls_number_parameters     329
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0217
_refine_ls_R_factor_gt           0.0200
_refine_ls_wR_factor_ref         0.0516
_refine_ls_wR_factor_gt          0.0507
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_restrained_S_all      1.045
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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 0.43389(2) 0.12622(2) 0.32590(2) 0.01777(4) Uani 1 1 d . . . . .
H1 H 0.5018(16) 0.0478(13) 0.3375(15) 0.049(6) Uiso 1 1 d . . . . .
P1 P 0.58495(3) 0.17406(2) 0.30984(3) 0.02016(7) Uani 1 1 d . . . . .
Si1 Si 0.13243(3) 0.24137(3) 0.12964(3) 0.02738(9) Uani 1 1 d . . . . .
Si2 Si 0.05955(3) 0.09882(3) 0.23323(3) 0.02789(9) Uani 1 1 d . . . . .
N1 N 0.39434(9) 0.09861(7) 0.16721(9) 0.0213(2) Uani 1 1 d . . . . .
N2 N 0.15959(9) 0.16420(7) 0.22807(9) 0.0239(2) Uani 1 1 d . . . . .
C1 C 0.56081(11) 0.14784(10) 0.17939(11) 0.0259(3) Uani 1 1 d . . . . .
H1A H 0.6103(15) 0.1550(12) 0.1497(14) 0.035(5) Uiso 1 1 d . . . . .
C2 C 0.46673(11) 0.11097(8) 0.12187(11) 0.0225(3) Uani 1 1 d . . . . .
C3 C 0.43881(12) 0.08433(9) 0.01511(11) 0.0280(3) Uani 1 1 d . . . . .
H3 H 0.488140 0.089476 -0.016609 0.034 Uiso 1 1 calc R U . . .
C4 C 0.34374(13) 0.05206(10) -0.04129(12) 0.0334(3) Uani 1 1 d . . . . .
H4 H 0.326469 0.036064 -0.112052 0.040 Uiso 1 1 calc R U . . .
C5 C 0.27105(12) 0.04250(10) 0.00580(12) 0.0335(3) Uani 1 1 d . . . . .
H5 H 0.203593 0.021100 -0.032370 0.040 Uiso 1 1 calc R U . . .
C6 C 0.30093(11) 0.06514(9) 0.10866(11) 0.0271(3) Uani 1 1 d . . . . .
H6 H 0.252780 0.056792 0.141230 0.033 Uiso 1 1 calc R U . . .
C7 C 0.61486(11) 0.28900(9) 0.32241(11) 0.0260(3) Uani 1 1 d . . . . .
C8 C 0.50980(12) 0.33261(9) 0.27142(12) 0.0298(3) Uani 1 1 d . . . . .
H8A H 0.467170 0.321666 0.312263 0.045 Uiso 1 1 calc R U . . .
H8B H 0.473997 0.312069 0.199890 0.045 Uiso 1 1 calc R U . . .
H8C H 0.521087 0.391964 0.269502 0.045 Uiso 1 1 calc R U . . .
C9 C 0.66572(13) 0.31754(10) 0.43663(12) 0.0341(3) Uani 1 1 d . . . . .
H9A H 0.665725 0.377766 0.439198 0.051 Uiso 1 1 calc R U . . .
H9B H 0.737430 0.297358 0.467064 0.051 Uiso 1 1 calc R U . . .
H9C H 0.626505 0.295744 0.476566 0.051 Uiso 1 1 calc R U . . .
C10 C 0.68188(13) 0.31676(11) 0.26170(14) 0.0371(4) Uani 1 1 d . . . . .
H10A H 0.652890 0.294152 0.190600 0.056 Uiso 1 1 calc R U . . .
H10B H 0.753176 0.296805 0.297708 0.056 Uiso 1 1 calc R U . . .
H10C H 0.682157 0.376939 0.258228 0.056 Uiso 1 1 calc R U . . .
C11 C 0.70941(11) 0.11798(9) 0.39397(11) 0.0257(3) Uani 1 1 d . . . . .
C12 C 0.72832(11) 0.12247(9) 0.51057(11) 0.0278(3) Uani 1 1 d . . . . .
H12A H 0.784918 0.085029 0.550030 0.042 Uiso 1 1 calc R U . . .
H12B H 0.664861 0.106445 0.520443 0.042 Uiso 1 1 calc R U . . .
H12C H 0.747265 0.178817 0.535804 0.042 Uiso 1 1 calc R U . . .
C13 C 0.80590(12) 0.15171(13) 0.37907(15) 0.0423(4) Uani 1 1 d . . . . .
H13A H 0.820776 0.207394 0.408121 0.063 Uiso 1 1 calc R U . . .
H13B H 0.792885 0.153272 0.304243 0.063 Uiso 1 1 calc R U . . .
H13C H 0.865556 0.115985 0.415361 0.063 Uiso 1 1 calc R U . . .
C14 C 0.69849(13) 0.02746(10) 0.35995(12) 0.0341(3) Uani 1 1 d . . . . .
H14A H 0.762508 -0.002164 0.400815 0.051 Uiso 1 1 calc R U . . .
H14B H 0.686112 0.024063 0.285355 0.051 Uiso 1 1 calc R U . . .
H14C H 0.639878 0.002694 0.371969 0.051 Uiso 1 1 calc R U . . .
C15 C 0.25817(10) 0.15661(9) 0.31105(10) 0.0209(3) Uani 1 1 d . . . . .
C16 C 0.32205(11) 0.22458(9) 0.35588(11) 0.0230(3) Uani 1 1 d . . . . .
H16 H 0.3020(13) 0.2758(11) 0.3335(13) 0.029(4) Uiso 1 1 d . . . . .
C17 C 0.41858(11) 0.21345(9) 0.44163(11) 0.0249(3) Uani 1 1 d . . . . .
H17 H 0.4590(13) 0.2585(11) 0.4692(13) 0.026(4) Uiso 1 1 d . . . . .
C18 C 0.44868(11) 0.13632(10) 0.49007(11) 0.0254(3) Uani 1 1 d . . . . .
H18 H 0.5105(14) 0.1314(10) 0.5507(14) 0.029(4) Uiso 1 1 d . . . . .
C19 C 0.38759(11) 0.06754(9) 0.44286(11) 0.0255(3) Uani 1 1 d . . . . .
H19 H 0.4080(13) 0.0138(11) 0.4694(13) 0.028(4) Uiso 1 1 d . . . . .
C20 C 0.29557(10) 0.07686(9) 0.35206(11) 0.0224(3) Uani 1 1 d . . . . .
H20 H 0.2591(13) 0.0311(11) 0.3204(13) 0.028(4) Uiso 1 1 d . . . . .
C21 C 0.25076(12) 0.28020(10) 0.11299(13) 0.0356(4) Uani 1 1 d . . . . .
H21A H 0.282732 0.323678 0.164361 0.053 Uiso 1 1 calc R U . . .
H21B H 0.231571 0.302354 0.042142 0.053 Uiso 1 1 calc R U . . .
H21C H 0.300340 0.235010 0.123711 0.053 Uiso 1 1 calc R U . . .
C22 C 0.04960(13) 0.19432(11) 0.00101(13) 0.0375(4) Uani 1 1 d . . . . .
H22A H 0.091759 0.156687 -0.021759 0.056 Uiso 1 1 calc R U . . .
H22B H 0.021384 0.237801 -0.051333 0.056 Uiso 1 1 calc R U . . .
H22C H -0.007701 0.163846 0.008830 0.056 Uiso 1 1 calc R U . . .
C23 C 0.06672(14) 0.33161(12) 0.16181(15) 0.0449(4) Uani 1 1 d . . . . .
H23A H -0.001884 0.314989 0.159115 0.067 Uiso 1 1 calc R U . . .
H23B H 0.058707 0.375625 0.110880 0.067 Uiso 1 1 calc R U . . .
H23C H 0.108915 0.351487 0.232274 0.067 Uiso 1 1 calc R U . . .
C24 C 0.05510(15) -0.00116(13) 0.16492(15) 0.0463(5) Uani 1 1 d . . . . .
H24A H 0.049171 0.009401 0.093069 0.069 Uiso 1 1 calc R U . . .
H24B H -0.005103 -0.033085 0.163481 0.069 Uiso 1 1 calc R U . . .
H24C H 0.118900 -0.032220 0.202384 0.069 Uiso 1 1 calc R U . . .
C25 C -0.07017(13) 0.15002(16) 0.17167(16) 0.0545(5) Uani 1 1 d . . . . .
H25A H -0.071308 0.199833 0.211103 0.082 Uiso 1 1 calc R U . . .
H25B H -0.124688 0.112277 0.172497 0.082 Uiso 1 1 calc R U . . .
H25C H -0.082415 0.164768 0.099171 0.082 Uiso 1 1 calc R U . . .
C26 C 0.07512(12) 0.07921(11) 0.37134(12) 0.0324(3) Uani 1 1 d . . . . .
H26A H 0.142870 0.053625 0.409459 0.049 Uiso 1 1 calc R U . . .
H26B H 0.019800 0.042331 0.372181 0.049 Uiso 1 1 calc R U . . .
H26C H 0.070855 0.131374 0.404963 0.049 Uiso 1 1 calc R U . . .


_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 N1 2.0961(11) . ?
Ru1 C19 2.1776(14) . ?
Ru1 C18 2.2055(14) . ?
Ru1 C17 2.2091(14) . ?
Ru1 C20 2.2409(13) . ?
Ru1 P1 2.3325(3) . ?
Ru1 C16 2.3775(14) . ?
Ru1 C15 2.4275(13) . ?
Ru1 H1 1.56(2) . ?
P1 C1 1.7561(14) . ?
P1 C7 1.9084(15) . ?
P1 C11 1.9091(14) . ?
Si1 N2 1.7821(13) . ?
Si1 C21 1.8599(17) . ?
Si1 C23 1.8712(18) . ?
Si1 C22 1.8728(17) . ?
Si2 N2 1.7760(13) . ?
Si2 C26 1.8650(16) . ?
Si2 C24 1.8695(19) . ?
Si2 C25 1.8720(18) . ?
N1 C6 1.3555(18) . ?
N1 C2 1.3910(18) . ?
N2 C15 1.4176(16) . ?
C1 C2 1.382(2) . ?
C1 H1A 0.935(19) . ?
C2 C3 1.4415(19) . ?
C3 C4 1.359(2) . ?
C3 H3 0.9500 . ?
C4 C5 1.407(2) . ?
C4 H4 0.9500 . ?
C5 C6 1.370(2) . ?
C5 H5 0.9500 . ?
C6 H6 0.9500 . ?
C7 C8 1.533(2) . ?
C7 C9 1.534(2) . ?
C7 C10 1.543(2) . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 C12 1.533(2) . ?
C11 C14 1.535(2) . ?
C11 C13 1.537(2) . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 C16 1.4054(19) . ?
C15 C20 1.4312(19) . ?
C16 C17 1.4229(19) . ?
C16 H16 0.895(18) . ?
C17 C18 1.408(2) . ?
C17 H17 0.914(17) . ?
C18 C19 1.406(2) . ?
C18 H18 0.947(18) . ?
C19 C20 1.4174(19) . ?
C19 H19 0.949(18) . ?
C20 H20 0.913(18) . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?

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
N1 Ru1 C19 130.52(5) . . ?
N1 Ru1 C18 167.65(5) . . ?
C19 Ru1 C18 37.40(6) . . ?
N1 Ru1 C17 146.75(5) . . ?
C19 Ru1 C17 66.74(6) . . ?
C18 Ru1 C17 37.20(6) . . ?
N1 Ru1 C20 101.24(5) . . ?
C19 Ru1 C20 37.39(5) . . ?
C18 Ru1 C20 66.89(5) . . ?
C17 Ru1 C20 77.61(5) . . ?
N1 Ru1 P1 81.75(3) . . ?
C19 Ru1 P1 138.73(4) . . ?
C18 Ru1 P1 109.96(4) . . ?
C17 Ru1 P1 101.30(4) . . ?
C20 Ru1 P1 176.10(4) . . ?
N1 Ru1 C16 113.56(5) . . ?
C19 Ru1 C16 76.41(5) . . ?
C18 Ru1 C16 65.13(5) . . ?
C17 Ru1 C16 35.91(5) . . ?
C20 Ru1 C16 63.35(5) . . ?
P1 Ru1 C16 117.88(4) . . ?
N1 Ru1 C15 95.92(4) . . ?
C19 Ru1 C15 64.91(5) . . ?
C18 Ru1 C15 76.43(5) . . ?
C17 Ru1 C15 63.67(5) . . ?
C20 Ru1 C15 35.42(5) . . ?
P1 Ru1 C15 147.28(3) . . ?
C16 Ru1 C15 33.99(5) . . ?
N1 Ru1 H1 80.7(7) . . ?
C19 Ru1 H1 84.6(7) . . ?
C18 Ru1 H1 98.2(7) . . ?
C17 Ru1 H1 132.4(7) . . ?
C20 Ru1 H1 102.5(7) . . ?
P1 Ru1 H1 75.4(7) . . ?
C16 Ru1 H1 160.9(7) . . ?
C15 Ru1 H1 136.7(8) . . ?
C1 P1 C7 106.29(7) . . ?
C1 P1 C11 106.36(7) . . ?
C7 P1 C11 107.27(6) . . ?
C1 P1 Ru1 101.08(5) . . ?
C7 P1 Ru1 119.43(5) . . ?
C11 P1 Ru1 115.11(5) . . ?
N2 Si1 C21 113.25(6) . . ?
N2 Si1 C23 110.54(8) . . ?
C21 Si1 C23 107.50(9) . . ?
N2 Si1 C22 108.10(7) . . ?
C21 Si1 C22 105.90(8) . . ?
C23 Si1 C22 111.51(8) . . ?
N2 Si2 C26 111.00(6) . . ?
N2 Si2 C24 112.03(7) . . ?
C26 Si2 C24 109.70(9) . . ?
N2 Si2 C25 110.54(8) . . ?
C26 Si2 C25 104.77(8) . . ?
C24 Si2 C25 108.53(10) . . ?
C6 N1 C2 118.99(12) . . ?
C6 N1 Ru1 121.22(10) . . ?
C2 N1 Ru1 119.72(9) . . ?
C15 N2 Si2 116.54(9) . . ?
C15 N2 Si1 122.40(9) . . ?
Si2 N2 Si1 120.81(6) . . ?
C2 C1 P1 117.54(11) . . ?
C2 C1 H1A 119.8(11) . . ?
P1 C1 H1A 122.5(11) . . ?
C1 C2 N1 119.65(12) . . ?
C1 C2 C3 122.94(13) . . ?
N1 C2 C3 117.41(13) . . ?
C4 C3 C2 121.67(14) . . ?
C4 C3 H3 119.2 . . ?
C2 C3 H3 119.2 . . ?
C3 C4 C5 119.55(14) . . ?
C3 C4 H4 120.2 . . ?
C5 C4 H4 120.2 . . ?
C6 C5 C4 117.68(14) . . ?
C6 C5 H5 121.2 . . ?
C4 C5 H5 121.2 . . ?
N1 C6 C5 124.61(15) . . ?
N1 C6 H6 117.7 . . ?
C5 C6 H6 117.7 . . ?
C8 C7 C9 108.44(13) . . ?
C8 C7 C10 106.52(12) . . ?
C9 C7 C10 109.54(12) . . ?
C8 C7 P1 105.94(9) . . ?
C9 C7 P1 112.87(10) . . ?
C10 C7 P1 113.17(11) . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C7 C9 H9A 109.5 . . ?
C7 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C7 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C7 C10 H10A 109.5 . . ?
C7 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C7 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C12 C11 C14 108.96(12) . . ?
C12 C11 C13 108.51(13) . . ?
C14 C11 C13 106.88(13) . . ?
C12 C11 P1 111.60(10) . . ?
C14 C11 P1 108.13(10) . . ?
C13 C11 P1 112.61(11) . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C11 C13 H13A 109.5 . . ?
C11 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C11 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C11 C14 H14A 109.5 . . ?
C11 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C11 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C16 C15 N2 122.80(12) . . ?
C16 C15 C20 117.72(12) . . ?
N2 C15 C20 119.49(12) . . ?
C16 C15 Ru1 71.05(8) . . ?
N2 C15 Ru1 135.95(9) . . ?
C20 C15 Ru1 65.16(7) . . ?
C15 C16 C17 120.26(13) . . ?
C15 C16 Ru1 74.95(8) . . ?
C17 C16 Ru1 65.58(8) . . ?
C15 C16 H16 121.2(11) . . ?
C17 C16 H16 118.5(11) . . ?
Ru1 C16 H16 134.8(11) . . ?
C18 C17 C16 121.58(13) . . ?
C18 C17 Ru1 71.26(8) . . ?
C16 C17 Ru1 78.51(8) . . ?
C18 C17 H17 119.5(10) . . ?
C16 C17 H17 118.7(11) . . ?
Ru1 C17 H17 127.0(11) . . ?
C19 C18 C17 118.10(13) . . ?
C19 C18 Ru1 70.22(8) . . ?
C17 C18 Ru1 71.54(8) . . ?
C19 C18 H18 121.8(10) . . ?
C17 C18 H18 120.0(10) . . ?
Ru1 C18 H18 126.8(11) . . ?
C18 C19 C20 120.48(13) . . ?
C18 C19 Ru1 72.38(8) . . ?
C20 C19 Ru1 73.73(8) . . ?
C18 C19 H19 121.0(10) . . ?
C20 C19 H19 118.5(10) . . ?
Ru1 C19 H19 124.1(10) . . ?
C19 C20 C15 121.08(13) . . ?
C19 C20 Ru1 68.88(8) . . ?
C15 C20 Ru1 79.42(8) . . ?
C19 C20 H20 119.0(11) . . ?
C15 C20 H20 119.9(11) . . ?
Ru1 C20 H20 124.8(11) . . ?
Si1 C21 H21A 109.5 . . ?
Si1 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
Si1 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
Si1 C22 H22A 109.5 . . ?
Si1 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
Si1 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
Si1 C23 H23A 109.5 . . ?
Si1 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
Si1 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
Si2 C24 H24A 109.5 . . ?
Si2 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
Si2 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
Si2 C25 H25A 109.5 . . ?
Si2 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
Si2 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
Si2 C26 H26A 109.5 . . ?
Si2 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
Si2 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?

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
C26 Si2 N2 C15 33.01(12) . . . . ?
C24 Si2 N2 C15 -90.00(12) . . . . ?
C25 Si2 N2 C15 148.83(12) . . . . ?
C26 Si2 N2 Si1 -141.35(8) . . . . ?
C24 Si2 N2 Si1 95.64(10) . . . . ?
C25 Si2 N2 Si1 -25.53(12) . . . . ?
C21 Si1 N2 C15 23.55(14) . . . . ?
C23 Si1 N2 C15 -97.14(12) . . . . ?
C22 Si1 N2 C15 140.55(11) . . . . ?
C21 Si1 N2 Si2 -162.43(8) . . . . ?
C23 Si1 N2 Si2 76.89(10) . . . . ?
C22 Si1 N2 Si2 -45.42(10) . . . . ?
C7 P1 C1 C2 -123.78(12) . . . . ?
C11 P1 C1 C2 122.13(12) . . . . ?
Ru1 P1 C1 C2 1.59(13) . . . . ?
P1 C1 C2 N1 2.10(19) . . . . ?
P1 C1 C2 C3 -178.13(11) . . . . ?
C6 N1 C2 C1 177.61(13) . . . . ?
Ru1 N1 C2 C1 -5.49(17) . . . . ?
C6 N1 C2 C3 -2.18(18) . . . . ?
Ru1 N1 C2 C3 174.73(9) . . . . ?
C1 C2 C3 C4 -176.61(15) . . . . ?
N1 C2 C3 C4 3.2(2) . . . . ?
C2 C3 C4 C5 -1.4(2) . . . . ?
C3 C4 C5 C6 -1.2(2) . . . . ?
C2 N1 C6 C5 -0.5(2) . . . . ?
Ru1 N1 C6 C5 -177.36(12) . . . . ?
C4 C5 C6 N1 2.3(2) . . . . ?
Si2 N2 C15 C16 -141.08(12) . . . . ?
Si1 N2 C15 C16 33.18(18) . . . . ?
Si2 N2 C15 C20 38.87(16) . . . . ?
Si1 N2 C15 C20 -146.87(11) . . . . ?
Si2 N2 C15 Ru1 122.57(11) . . . . ?
Si1 N2 C15 Ru1 -63.16(17) . . . . ?
N2 C15 C16 C17 177.67(12) . . . . ?
C20 C15 C16 C17 -2.3(2) . . . . ?
Ru1 C15 C16 C17 -49.28(12) . . . . ?
N2 C15 C16 Ru1 -133.06(13) . . . . ?
C20 C15 C16 Ru1 46.99(11) . . . . ?
C15 C16 C17 C18 -5.9(2) . . . . ?
Ru1 C16 C17 C18 -59.35(12) . . . . ?
C15 C16 C17 Ru1 53.49(12) . . . . ?
C16 C17 C18 C19 8.5(2) . . . . ?
Ru1 C17 C18 C19 -54.36(12) . . . . ?
C16 C17 C18 Ru1 62.90(12) . . . . ?
C17 C18 C19 C20 -3.1(2) . . . . ?
Ru1 C18 C19 C20 -58.13(12) . . . . ?
C17 C18 C19 Ru1 55.00(12) . . . . ?
C18 C19 C20 C15 -5.0(2) . . . . ?
Ru1 C19 C20 C15 -62.45(12) . . . . ?
C18 C19 C20 Ru1 57.47(12) . . . . ?
C16 C15 C20 C19 7.6(2) . . . . ?
N2 C15 C20 C19 -172.33(13) . . . . ?
Ru1 C15 C20 C19 57.28(11) . . . . ?
C16 C15 C20 Ru1 -49.65(12) . . . . ?
N2 C15 C20 Ru1 130.39(11) . . . . ?

_refine_diff_density_max         0.488
_refine_diff_density_min         -0.417
_refine_diff_density_rms         0.048


