# Electronic Supplementary Material (ESI) for Dalton Transactions.
# 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_arp2
_database_code_depnum_ccdc_archive 'CCDC 2181516'
_audit_update_record             
;
2024-01-06 deposited with the CCDC.	2024-02-13 downloaded from the CCDC.
;
_audit_creation_date             2024-01-04
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817)
;
_shelx_SHELXL_version_number     2019/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C36 H42 Cl2 N2 O4 Ru2'
_chemical_formula_sum            'C36 H42 Cl2 N2 O4 Ru2'
_chemical_formula_weight         839.75
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C36 H42 Cl2 N2 O4 Ru2'
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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   9.0486(4)
_cell_length_b                   9.7472(7)
_cell_length_c                   20.1531(11)
_cell_angle_alpha                90
_cell_angle_beta                 93.009(4)
_cell_angle_gamma                90
_cell_volume                     1775.03(18)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    3195
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      28.9880
_cell_measurement_theta_min      4.0670
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.042
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.73530
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.93a (Rigaku Oxford Diffraction, 2020)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            red
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.571
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             852
_exptl_crystal_size_max          0.31
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0376
_diffrn_reflns_av_unetI/netI     0.0551
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.866
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            9370
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.866
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.267
_diffrn_reflns_theta_min         3.616
_diffrn_ambient_temperature      295(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.4015
_diffrn_detector_type            Atlas
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.866
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -14.00  32.00   1.00   18.42    --   10.53 -77.00   0.00   46
  2  ω    -79.00   1.00   1.00    9.22    --  -10.84 -57.00-150.00   80
  3  ω    -75.00   1.00   1.00    9.22    --  -10.84 -38.00 -90.00   76
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Atlas, Gemini ultra'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0390231000
_diffrn_orient_matrix_UB_12      0.0409228000
_diffrn_orient_matrix_UB_13      0.0222952000
_diffrn_orient_matrix_UB_21      -0.0430255000
_diffrn_orient_matrix_UB_22      -0.0577929000
_diffrn_orient_matrix_UB_23      0.0082782000
_diffrn_orient_matrix_UB_31      0.0527474000
_diffrn_orient_matrix_UB_32      -0.0168512000
_diffrn_orient_matrix_UB_33      0.0260173000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2574
_reflns_number_total             4203
_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 1.171.41.93a (Rigaku OD, 2020)'
_computing_data_collection       'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/3 (Sheldrick, 2015)'
_computing_structure_solution    ?
_refine_diff_density_max         0.536
_refine_diff_density_min         -0.584
_refine_diff_density_rms         0.088
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.062
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     212
_refine_ls_number_reflns         4203
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0861
_refine_ls_R_factor_gt           0.0440
_refine_ls_restrained_S_all      1.068
_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)+(0.0379P)²+0.6258P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0919
_refine_ls_wR_factor_ref         0.1105
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C16-C17
 1.5 with sigma of 0.02
3.a Ternary CH refined with riding coordinates:
 C16(H16)
3.b Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C6(H6), C7(H7), C10(H10), C11(H11), C13(H13), C14(H14)
3.c Idealised Me refined as rotating group:
 C8(H8A,H8B,H8C), C15(H15A,H15B,H15C), C17(H17A,H17B,H17C), C18(H18A,H18B,H18C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_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 0.73744(3) 0.50169(4) 0.06612(2) 0.04033(13) Uani 1 1 d . . . . .
Cl1 Cl 0.74200(15) 0.73750(15) 0.03286(7) 0.0750(4) Uani 1 1 d . . . . .
O1 O 0.7354(3) 0.4628(4) -0.03434(14) 0.0557(9) Uani 1 1 d . . . . .
O2 O 0.6248(4) 0.3440(4) -0.33675(17) 0.0776(11) Uani 1 1 d . . . . .
N1 N 0.5134(3) 0.5102(3) 0.03464(15) 0.0384(8) Uani 1 1 d . . . . .
C1 C 0.6081(4) 0.4663(4) -0.06464(19) 0.0416(10) Uani 1 1 d . . . . .
C2 C 0.6059(4) 0.4366(5) -0.13682(19) 0.0402(10) Uani 1 1 d . . . . .
C3 C 0.6750(4) 0.5263(5) -0.1785(2) 0.0454(11) Uani 1 1 d . . . . .
H3 H 0.718562 0.605714 -0.160965 0.054 Uiso 1 1 calc R U . . .
C4 C 0.6803(5) 0.5005(5) -0.2450(2) 0.0508(11) Uani 1 1 d . . . . .
H4 H 0.724281 0.563804 -0.272341 0.061 Uiso 1 1 calc R U . . .
C5 C 0.6210(5) 0.3812(5) -0.2719(2) 0.0503(11) Uani 1 1 d . . . . .
C6 C 0.5537(5) 0.2894(5) -0.2300(2) 0.0557(12) Uani 1 1 d . . . . .
H6 H 0.514354 0.208039 -0.247366 0.067 Uiso 1 1 calc R U . . .
C7 C 0.5446(4) 0.3172(5) -0.1633(2) 0.0516(11) Uani 1 1 d . . . . .
H7 H 0.497295 0.255794 -0.136185 0.062 Uiso 1 1 calc R U . . .
C8 C 0.6932(9) 0.4348(8) -0.3807(3) 0.115(3) Uani 1 1 d . . . . .
H8A H 0.676412 0.402843 -0.425546 0.172 Uiso 1 1 calc R U . . .
H8B H 0.797611 0.438149 -0.369715 0.172 Uiso 1 1 calc R U . . .
H8C H 0.651734 0.524896 -0.376693 0.172 Uiso 1 1 calc R U . . .
C9 C 0.8959(6) 0.5496(6) 0.1496(3) 0.0677(15) Uani 1 1 d . . . . .
C10 C 0.9649(5) 0.4694(6) 0.1029(3) 0.0659(16) Uani 1 1 d . . . . .
H10 H 1.053639 0.498893 0.086480 0.079 Uiso 1 1 calc R U . . .
C11 C 0.9030(6) 0.3458(6) 0.0806(2) 0.0651(14) Uani 1 1 d . . . . .
H11 H 0.949178 0.296000 0.048248 0.078 Uiso 1 1 calc R U . . .
C12 C 0.7716(6) 0.2946(5) 0.1062(2) 0.0626(13) Uani 1 1 d . . . . .
C13 C 0.7053(5) 0.3788(6) 0.1512(2) 0.0606(14) Uani 1 1 d . . . . .
H13 H 0.615081 0.351296 0.166836 0.073 Uiso 1 1 calc R U . . .
C14 C 0.7655(5) 0.5017(6) 0.1745(2) 0.0608(13) Uani 1 1 d . . . . .
H14 H 0.718523 0.551721 0.206549 0.073 Uiso 1 1 calc R U . . .
C15 C 0.9607(9) 0.6875(7) 0.1702(4) 0.142(4) Uani 1 1 d . . . . .
H15A H 1.007718 0.728015 0.133343 0.212 Uiso 1 1 calc R U . . .
H15B H 1.032396 0.675165 0.206555 0.212 Uiso 1 1 calc R U . . .
H15C H 0.883131 0.746808 0.183772 0.212 Uiso 1 1 calc R U . . .
C16 C 0.7010(13) 0.1590(8) 0.0847(4) 0.158(4) Uani 1 1 d D . . . .
H16 H 0.597930 0.187612 0.088443 0.189 Uiso 1 1 calc R U . . .
C17 C 0.6903(14) 0.1278(9) 0.0192(4) 0.208(6) Uani 1 1 d D . . . .
H17A H 0.657830 0.207232 -0.005659 0.312 Uiso 1 1 calc R U . . .
H17B H 0.620105 0.054859 0.011721 0.312 Uiso 1 1 calc R U . . .
H17C H 0.785222 0.099266 0.005191 0.312 Uiso 1 1 calc R U . . .
C18 C 0.7039(14) 0.0596(9) 0.1367(4) 0.198(6) Uani 1 1 d . . . . .
H18A H 0.797196 0.012571 0.138488 0.297 Uiso 1 1 calc R U . . .
H18B H 0.625319 -0.005310 0.128345 0.297 Uiso 1 1 calc R U . . .
H18C H 0.691009 0.104692 0.178400 0.297 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 Cl1 2.3952(14) . ?
Ru1 O1 2.059(3) . ?
Ru1 N1 2.094(3) . ?
Ru1 C9 2.203(4) . ?
Ru1 C10 2.174(4) . ?
Ru1 C11 2.143(4) . ?
Ru1 C12 2.190(5) . ?
Ru1 C13 2.124(4) . ?
Ru1 C14 2.185(5) . ?
O1 C1 1.275(4) . ?
O2 C5 1.358(5) . ?
O2 C8 1.417(7) . ?
N1 N1 1.418(6) 3_665 ?
N1 C1 1.303(5) 3_665 ?
C1 C2 1.482(5) . ?
C2 C3 1.384(6) . ?
C2 C7 1.385(6) . ?
C3 H3 0.9300 . ?
C3 C4 1.367(6) . ?
C4 H4 0.9300 . ?
C4 C5 1.380(6) . ?
C5 C6 1.391(6) . ?
C6 H6 0.9300 . ?
C6 C7 1.378(6) . ?
C7 H7 0.9300 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 C10 1.396(8) . ?
C9 C14 1.387(8) . ?
C9 C15 1.516(8) . ?
C10 H10 0.9300 . ?
C10 C11 1.393(7) . ?
C11 H11 0.9300 . ?
C11 C12 1.411(7) . ?
C12 C13 1.383(7) . ?
C12 C16 1.521(9) . ?
C13 H13 0.9300 . ?
C13 C14 1.387(7) . ?
C14 H14 0.9300 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C16 H16 0.9800 . ?
C16 C17 1.353(9) . ?
C16 C18 1.426(10) . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?

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
O1 Ru1 Cl1 84.32(10) . . ?
O1 Ru1 N1 75.56(11) . . ?
O1 Ru1 C9 139.65(19) . . ?
O1 Ru1 C10 105.57(17) . . ?
O1 Ru1 C11 88.49(16) . . ?
O1 Ru1 C12 100.74(17) . . ?
O1 Ru1 C13 134.05(19) . . ?
O1 Ru1 C14 167.76(16) . . ?
N1 Ru1 Cl1 84.71(10) . . ?
N1 Ru1 C9 143.5(2) . . ?
N1 Ru1 C10 173.44(17) . . ?
N1 Ru1 C11 136.73(19) . . ?
N1 Ru1 C12 105.30(16) . . ?
N1 Ru1 C13 95.49(15) . . ?
N1 Ru1 C14 111.26(15) . . ?
C9 Ru1 Cl1 89.44(15) . . ?
C10 Ru1 Cl1 101.80(16) . . ?
C10 Ru1 C9 37.2(2) . . ?
C10 Ru1 C12 68.2(2) . . ?
C10 Ru1 C14 66.47(19) . . ?
C11 Ru1 Cl1 134.14(17) . . ?
C11 Ru1 C9 67.9(2) . . ?
C11 Ru1 C10 37.6(2) . . ?
C11 Ru1 C12 37.99(19) . . ?
C11 Ru1 C14 79.63(18) . . ?
C12 Ru1 Cl1 169.59(13) . . ?
C12 Ru1 C9 80.81(19) . . ?
C13 Ru1 Cl1 140.56(17) . . ?
C13 Ru1 C9 67.3(2) . . ?
C13 Ru1 C10 79.04(18) . . ?
C13 Ru1 C11 67.30(19) . . ?
C13 Ru1 C12 37.37(19) . . ?
C13 Ru1 C14 37.52(19) . . ?
C14 Ru1 Cl1 106.07(16) . . ?
C14 Ru1 C9 36.9(2) . . ?
C14 Ru1 C12 67.97(19) . . ?
C1 O1 Ru1 115.3(2) . . ?
C5 O2 C8 118.0(4) . . ?
N1 N1 Ru1 113.9(3) 3_665 . ?
C1 N1 Ru1 133.9(3) 3_665 . ?
C1 N1 N1 112.1(3) 3_665 3_665 ?
O1 C1 N1 123.1(4) . 3_665 ?
O1 C1 C2 115.5(3) . . ?
N1 C1 C2 121.4(3) 3_665 . ?
C3 C2 C1 119.3(4) . . ?
C3 C2 C7 118.8(4) . . ?
C7 C2 C1 121.8(4) . . ?
C2 C3 H3 119.4 . . ?
C4 C3 C2 121.3(4) . . ?
C4 C3 H3 119.4 . . ?
C3 C4 H4 119.8 . . ?
C3 C4 C5 120.5(4) . . ?
C5 C4 H4 119.8 . . ?
O2 C5 C4 125.0(4) . . ?
O2 C5 C6 116.5(4) . . ?
C4 C5 C6 118.5(4) . . ?
C5 C6 H6 119.5 . . ?
C7 C6 C5 121.1(4) . . ?
C7 C6 H6 119.5 . . ?
C2 C7 H7 120.1 . . ?
C6 C7 C2 119.9(4) . . ?
C6 C7 H7 120.1 . . ?
O2 C8 H8A 109.5 . . ?
O2 C8 H8B 109.5 . . ?
O2 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C10 C9 Ru1 70.3(3) . . ?
C10 C9 C15 120.1(6) . . ?
C14 C9 Ru1 70.9(3) . . ?
C14 C9 C10 118.3(5) . . ?
C14 C9 C15 121.6(6) . . ?
C15 C9 Ru1 128.6(4) . . ?
Ru1 C10 H10 130.8 . . ?
C9 C10 Ru1 72.5(3) . . ?
C9 C10 H10 119.5 . . ?
C11 C10 Ru1 70.0(2) . . ?
C11 C10 C9 121.0(5) . . ?
C11 C10 H10 119.5 . . ?
Ru1 C11 H11 127.7 . . ?
C10 C11 Ru1 72.4(3) . . ?
C10 C11 H11 119.3 . . ?
C10 C11 C12 121.4(5) . . ?
C12 C11 Ru1 72.8(3) . . ?
C12 C11 H11 119.3 . . ?
C11 C12 Ru1 69.2(3) . . ?
C11 C12 C16 123.6(6) . . ?
C13 C12 Ru1 68.7(3) . . ?
C13 C12 C11 115.6(5) . . ?
C13 C12 C16 120.8(6) . . ?
C16 C12 Ru1 130.4(4) . . ?
Ru1 C13 H13 126.5 . . ?
C12 C13 Ru1 73.9(3) . . ?
C12 C13 H13 118.0 . . ?
C12 C13 C14 123.9(5) . . ?
C14 C13 Ru1 73.6(3) . . ?
C14 C13 H13 118.0 . . ?
Ru1 C14 H14 131.4 . . ?
C9 C14 Ru1 72.3(3) . . ?
C9 C14 H14 120.2 . . ?
C13 C14 Ru1 68.9(3) . . ?
C13 C14 C9 119.7(5) . . ?
C13 C14 H14 120.2 . . ?
C9 C15 H15A 109.5 . . ?
C9 C15 H15B 109.5 . . ?
C9 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C12 C16 H16 96.8 . . ?
C17 C16 C12 118.7(7) . . ?
C17 C16 H16 96.8 . . ?
C17 C16 C18 124.2(8) . . ?
C18 C16 C12 113.0(6) . . ?
C18 C16 H16 96.8 . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C16 C18 H18A 109.5 . . ?
C16 C18 H18B 109.5 . . ?
C16 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 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
Ru1 O1 C1 N1 -1.4(6) . . . 3_665 ?
Ru1 O1 C1 C2 -179.3(3) . . . . ?
Ru1 C9 C10 C11 -52.5(4) . . . . ?
Ru1 C9 C14 C13 51.9(4) . . . . ?
Ru1 C10 C11 C12 -56.2(4) . . . . ?
Ru1 C11 C12 C13 -52.3(4) . . . . ?
Ru1 C11 C12 C16 125.4(6) . . . . ?
Ru1 C12 C13 C14 -56.7(4) . . . . ?
Ru1 C12 C16 C17 46.0(14) . . . . ?
Ru1 C12 C16 C18 -156.0(7) . . . . ?
Ru1 C13 C14 C9 -53.4(4) . . . . ?
O1 C1 C2 C3 -65.4(5) . . . . ?
O1 C1 C2 C7 110.5(4) . . . . ?
O2 C5 C6 C7 179.7(4) . . . . ?
N1 C1 C2 C3 116.7(4) 3_665 . . . ?
N1 C1 C2 C7 -67.4(6) 3_665 . . . ?
C1 C2 C3 C4 177.6(4) . . . . ?
C1 C2 C7 C6 -175.6(4) . . . . ?
C2 C3 C4 C5 -2.2(7) . . . . ?
C3 C2 C7 C6 0.3(6) . . . . ?
C3 C4 C5 O2 -177.8(4) . . . . ?
C3 C4 C5 C6 1.0(7) . . . . ?
C4 C5 C6 C7 0.8(7) . . . . ?
C5 C6 C7 C2 -1.5(7) . . . . ?
C7 C2 C3 C4 1.5(6) . . . . ?
C8 O2 C5 C4 -0.8(7) . . . . ?
C8 O2 C5 C6 -179.7(5) . . . . ?
C9 C10 C11 Ru1 53.7(4) . . . . ?
C9 C10 C11 C12 -2.5(7) . . . . ?
C10 C9 C14 Ru1 -53.7(4) . . . . ?
C10 C9 C14 C13 -1.8(7) . . . . ?
C10 C11 C12 Ru1 56.0(4) . . . . ?
C10 C11 C12 C13 3.7(7) . . . . ?
C10 C11 C12 C16 -178.6(5) . . . . ?
C11 C12 C13 Ru1 52.5(4) . . . . ?
C11 C12 C13 C14 -4.2(7) . . . . ?
C11 C12 C16 C17 -44.3(12) . . . . ?
C11 C12 C16 C18 113.7(9) . . . . ?
C12 C13 C14 Ru1 56.9(4) . . . . ?
C12 C13 C14 C9 3.4(7) . . . . ?
C13 C12 C16 C17 133.2(10) . . . . ?
C13 C12 C16 C18 -68.7(11) . . . . ?
C14 C9 C10 Ru1 54.0(4) . . . . ?
C14 C9 C10 C11 1.4(7) . . . . ?
C15 C9 C10 Ru1 -123.9(5) . . . . ?
C15 C9 C10 C11 -176.5(5) . . . . ?
C15 C9 C14 Ru1 124.2(5) . . . . ?
C15 C9 C14 C13 176.1(5) . . . . ?
C16 C12 C13 Ru1 -125.2(5) . . . . ?
C16 C12 C13 C14 178.0(5) . . . . ?

_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 1.426
_oxdiff_exptl_absorpt_empirical_full_min 0.668
####################################################################### 
# 
# 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_arp4
_database_code_depnum_ccdc_archive 'CCDC 2181517'
_audit_update_record             
;
2024-01-06 deposited with the CCDC.	2024-02-13 downloaded from the CCDC.
;
_audit_creation_date             2024-01-04
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817)
;
_shelx_SHELXL_version_number     2019/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C34 H38 Cl2 N2 O2 Ru2'
_chemical_formula_sum            'C34 H38 Cl2 N2 O2 Ru2'
_chemical_formula_weight         779.70
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C32 H33 Cl3 N4 O1 Ru2'
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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   9.2655(5)
_cell_length_b                   9.9605(7)
_cell_length_c                   18.2413(11)
_cell_angle_alpha                90
_cell_angle_beta                 96.945(5)
_cell_angle_gamma                90
_cell_volume                     1671.11(19)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    3592
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      28.6420
_cell_measurement_theta_min      3.9620
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.096
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.43025
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.93a (Rigaku Oxford Diffraction, 2020)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.550
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             788
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.04
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0372
_diffrn_reflns_av_unetI/netI     0.0544
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.860
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            8923
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.860
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.189
_diffrn_reflns_theta_min         3.599
_diffrn_ambient_temperature      295(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.4015
_diffrn_detector_type            Atlas
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.860
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω      4.00  52.00   1.00    5.57    --   10.68 -99.00  60.00   48
  2  ω     26.00  53.00   1.00    5.57    --   10.68-105.00 -32.00   27
  3  ω    -55.00  76.00   1.00    5.57    --  -10.84   0.00  30.00  131
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Atlas, Gemini ultra'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0302729000
_diffrn_orient_matrix_UB_12      0.0654049000
_diffrn_orient_matrix_UB_13      0.0041974000
_diffrn_orient_matrix_UB_21      -0.0600059000
_diffrn_orient_matrix_UB_22      0.0211779000
_diffrn_orient_matrix_UB_23      0.0178279000
_diffrn_orient_matrix_UB_31      0.0377355000
_diffrn_orient_matrix_UB_32      -0.0188231000
_diffrn_orient_matrix_UB_33      0.0346042000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2991
_reflns_number_total             3884
_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 1.171.41.93a (Rigaku OD, 2020)'
_computing_data_collection       'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/3 (Sheldrick, 2015)'
_computing_structure_solution    ?
_refine_diff_density_max         0.617
_refine_diff_density_min         -0.642
_refine_diff_density_rms         0.106
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.086
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     204
_refine_ls_number_reflns         3884
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0621
_refine_ls_R_factor_gt           0.0405
_refine_ls_restrained_S_all      1.086
_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)+(0.0369P)²+0.1249P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0814
_refine_ls_wR_factor_ref         0.0943
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Others
 Sof(H15)=Sof(C16)=Sof(H16A)=Sof(H16B)=Sof(H16C)=1-FVAR(1)
 Sof(H15A)=Sof(C16A)=Sof(H16D)=Sof(H16E)=Sof(H16F)=FVAR(1)
3.a Ternary CH refined with riding coordinates:
 C15(H15), C15(H15A)
3.b Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5), C6(H6), C7(H7), C9(H9), C10(H10), C12(H12), C13(H13)
3.c Idealised Me refined as rotating group:
 C14(H14A,H14B,H14C), C17(H17A,H17B,H17C), C16(H16A,H16B,H16C), C16A(H16D,H16E,
 H16F)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_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 0.27699(3) 0.49017(3) 0.06035(2) 0.02669(10) Uani 1 1 d . . . . .
Cl1 Cl 0.24321(10) 0.71496(10) 0.01216(5) 0.0439(2) Uani 1 1 d . . . . .
O1 O 0.2687(2) 0.4337(3) -0.04889(11) 0.0346(6) Uani 1 1 d . . . . .
N1 N 0.4895(3) 0.5160(3) 0.03705(14) 0.0278(6) Uani 1 1 d . . . . .
C1 C 0.6098(3) 0.5582(4) 0.07534(16) 0.0298(7) Uani 1 1 d . . . . .
C2 C 0.6099(3) 0.6040(4) 0.15324(17) 0.0356(8) Uani 1 1 d . . . . .
C3 C 0.5405(4) 0.7191(4) 0.1703(2) 0.0465(10) Uani 1 1 d . . . . .
H3 H 0.488780 0.769186 0.132881 0.056 Uiso 1 1 calc R U . . .
C4 C 0.5469(5) 0.7613(5) 0.2425(2) 0.0601(12) Uani 1 1 d . . . . .
H4 H 0.500209 0.840009 0.253732 0.072 Uiso 1 1 calc R U . . .
C5 C 0.6219(5) 0.6874(6) 0.2976(2) 0.0704(15) Uani 1 1 d . . . . .
H5 H 0.624499 0.715159 0.346446 0.084 Uiso 1 1 calc R U . . .
C6 C 0.6927(6) 0.5738(7) 0.2817(2) 0.0760(16) Uani 1 1 d . . . . .
H6 H 0.744761 0.524874 0.319472 0.091 Uiso 1 1 calc R U . . .
C7 C 0.6877(5) 0.5299(5) 0.2085(2) 0.0593(13) Uani 1 1 d . . . . .
H7 H 0.735978 0.452019 0.197336 0.071 Uiso 1 1 calc R U . . .
C8 C 0.1570(4) 0.5395(4) 0.15450(19) 0.0438(9) Uani 1 1 d . . . . .
C9 C 0.2923(4) 0.4829(4) 0.18101(19) 0.0426(10) Uani 1 1 d . . . . .
H9 H 0.353205 0.526970 0.217597 0.051 Uiso 1 1 calc R U . . .
C10 C 0.3363(4) 0.3601(4) 0.15255(18) 0.0421(9) Uani 1 1 d . . . . .
H10 H 0.428136 0.326938 0.169554 0.051 Uiso 1 1 calc R U . . .
C11 C 0.2473(4) 0.2855(4) 0.09958(19) 0.0447(9) Uani 1 1 d . . . . .
C12 C 0.1104(4) 0.3444(4) 0.07436(18) 0.0431(10) Uani 1 1 d . . . . .
H12 H 0.048308 0.298955 0.038900 0.052 Uiso 1 1 calc R U . . .
C13 C 0.0653(4) 0.4667(4) 0.1003(2) 0.0437(10) Uani 1 1 d . . . . .
H13 H -0.025278 0.501161 0.082039 0.052 Uiso 1 1 calc R U . . .
C14 C 0.1104(6) 0.6745(6) 0.1787(2) 0.0784(15) Uani 1 1 d . . . . .
H14A H 0.190167 0.717135 0.208236 0.118 Uiso 1 1 calc R U . . .
H14B H 0.030610 0.664199 0.207267 0.118 Uiso 1 1 calc R U . . .
H14C H 0.080365 0.728753 0.136067 0.118 Uiso 1 1 calc R U . . .
C15 C 0.2917(7) 0.1525(5) 0.0692(3) 0.0755(15) Uani 1 1 d . . . . .
H15 H 0.253879 0.145822 0.016762 0.091 Uiso 0.595(10) 1 calc R U P A 1
H15A H 0.397895 0.144993 0.074570 0.091 Uiso 0.405(10) 1 calc R U P A 2
C17 C 0.2284(17) 0.0431(7) 0.1114(5) 0.239(8) Uani 1 1 d . . . . .
H17A H 0.245973 0.062190 0.163270 0.359 Uiso 1 1 calc R U . . .
H17B H 0.272950 -0.040857 0.101407 0.359 Uiso 1 1 calc R U . . .
H17C H 0.125541 0.037787 0.096536 0.359 Uiso 1 1 calc R U . . .
C16 C 0.4422(11) 0.1243(11) 0.0786(6) 0.113(4) Uani 0.595(10) 1 d . . P A 1
H16A H 0.494299 0.198934 0.061397 0.170 Uiso 0.595(10) 1 calc R U P A 1
H16B H 0.460535 0.045435 0.050907 0.170 Uiso 0.595(10) 1 calc R U P A 1
H16C H 0.474149 0.109176 0.130020 0.170 Uiso 0.595(10) 1 calc R U P A 1
C16A C 0.228(2) 0.1143(15) -0.0092(6) 0.111(7) Uani 0.405(10) 1 d . . P A 2
H16D H 0.126904 0.092602 -0.009796 0.166 Uiso 0.405(10) 1 calc R U P A 2
H16E H 0.278993 0.037762 -0.025122 0.166 Uiso 0.405(10) 1 calc R U P A 2
H16F H 0.238103 0.188329 -0.041826 0.166 Uiso 0.405(10) 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 Cl1 2.4118(10) . ?
Ru1 O1 2.063(2) . ?
Ru1 N1 2.080(3) . ?
Ru1 C8 2.211(4) . ?
Ru1 C9 2.190(3) . ?
Ru1 C10 2.142(3) . ?
Ru1 C11 2.189(4) . ?
Ru1 C12 2.156(4) . ?
Ru1 C13 2.186(4) . ?
O1 C1 1.280(4) 3_665 ?
N1 N1 1.425(5) 3_665 ?
N1 C1 1.311(4) . ?
C1 C2 1.493(4) . ?
C2 C3 1.368(5) . ?
C2 C7 1.381(5) . ?
C3 H3 0.9300 . ?
C3 C4 1.377(5) . ?
C4 H4 0.9300 . ?
C4 C5 1.367(7) . ?
C5 H5 0.9300 . ?
C5 C6 1.357(7) . ?
C6 H6 0.9300 . ?
C6 C7 1.399(6) . ?
C7 H7 0.9300 . ?
C8 C9 1.406(6) . ?
C8 C13 1.422(6) . ?
C8 C14 1.495(6) . ?
C9 H9 0.9300 . ?
C9 C10 1.409(6) . ?
C10 H10 0.9300 . ?
C10 C11 1.404(5) . ?
C11 C12 1.422(5) . ?
C11 C15 1.512(6) . ?
C12 H12 0.9300 . ?
C12 C13 1.389(6) . ?
C13 H13 0.9300 . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C15 H15 0.9800 . ?
C15 H15A 0.9800 . ?
C15 C17 1.494(9) . ?
C15 C16 1.413(11) . ?
C15 C16A 1.527(11) . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C16A H16D 0.9600 . ?
C16A H16E 0.9600 . ?
C16A H16F 0.9600 . ?

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
O1 Ru1 Cl1 85.02(8) . . ?
O1 Ru1 N1 76.22(9) . . ?
O1 Ru1 C8 147.94(13) . . ?
O1 Ru1 C9 162.23(14) . . ?
O1 Ru1 C10 124.71(13) . . ?
O1 Ru1 C11 94.04(12) . . ?
O1 Ru1 C12 89.28(11) . . ?
O1 Ru1 C13 111.26(12) . . ?
N1 Ru1 Cl1 83.97(8) . . ?
N1 Ru1 C8 135.12(13) . . ?
N1 Ru1 C9 105.16(13) . . ?
N1 Ru1 C10 94.35(12) . . ?
N1 Ru1 C11 109.97(13) . . ?
N1 Ru1 C12 144.71(14) . . ?
N1 Ru1 C13 172.36(11) . . ?
C8 Ru1 Cl1 91.23(11) . . ?
C9 Ru1 Cl1 112.74(11) . . ?
C9 Ru1 C8 37.26(15) . . ?
C10 Ru1 Cl1 149.05(11) . . ?
C10 Ru1 C8 68.28(15) . . ?
C10 Ru1 C9 37.94(14) . . ?
C10 Ru1 C11 37.83(14) . . ?
C10 Ru1 C12 67.60(13) . . ?
C10 Ru1 C13 80.17(14) . . ?
C11 Ru1 Cl1 165.43(11) . . ?
C11 Ru1 C8 81.84(15) . . ?
C11 Ru1 C9 68.66(14) . . ?
C12 Ru1 Cl1 127.23(11) . . ?
C12 Ru1 C8 67.87(15) . . ?
C12 Ru1 C9 79.57(13) . . ?
C12 Ru1 C11 38.21(14) . . ?
C12 Ru1 C13 37.31(15) . . ?
C13 Ru1 Cl1 97.96(12) . . ?
C13 Ru1 C8 37.75(15) . . ?
C13 Ru1 C9 67.26(14) . . ?
C13 Ru1 C11 68.79(16) . . ?
C1 O1 Ru1 114.54(18) 3_665 . ?
N1 N1 Ru1 114.0(2) 3_665 . ?
C1 N1 Ru1 134.1(2) . . ?
C1 N1 N1 111.9(3) . 3_665 ?
O1 C1 N1 123.3(3) 3_665 . ?
O1 C1 C2 116.1(3) 3_665 . ?
N1 C1 C2 120.5(3) . . ?
C3 C2 C1 121.8(3) . . ?
C3 C2 C7 120.0(3) . . ?
C7 C2 C1 118.1(4) . . ?
C2 C3 H3 119.8 . . ?
C2 C3 C4 120.4(4) . . ?
C4 C3 H3 119.8 . . ?
C3 C4 H4 120.0 . . ?
C5 C4 C3 119.9(4) . . ?
C5 C4 H4 120.0 . . ?
C4 C5 H5 119.8 . . ?
C6 C5 C4 120.5(4) . . ?
C6 C5 H5 119.8 . . ?
C5 C6 H6 119.9 . . ?
C5 C6 C7 120.3(4) . . ?
C7 C6 H6 119.9 . . ?
C2 C7 C6 118.9(4) . . ?
C2 C7 H7 120.5 . . ?
C6 C7 H7 120.5 . . ?
C9 C8 Ru1 70.5(2) . . ?
C9 C8 C13 117.9(4) . . ?
C9 C8 C14 122.4(4) . . ?
C13 C8 Ru1 70.2(2) . . ?
C13 C8 C14 119.6(4) . . ?
C14 C8 Ru1 128.3(3) . . ?
Ru1 C9 H9 131.7 . . ?
C8 C9 Ru1 72.2(2) . . ?
C8 C9 H9 119.8 . . ?
C8 C9 C10 120.5(3) . . ?
C10 C9 Ru1 69.18(19) . . ?
C10 C9 H9 119.8 . . ?
Ru1 C10 H10 127.9 . . ?
C9 C10 Ru1 72.9(2) . . ?
C9 C10 H10 118.6 . . ?
C11 C10 Ru1 72.9(2) . . ?
C11 C10 C9 122.7(3) . . ?
C11 C10 H10 118.6 . . ?
C10 C11 Ru1 69.3(2) . . ?
C10 C11 C12 115.5(4) . . ?
C10 C11 C15 123.5(4) . . ?
C12 C11 Ru1 69.7(2) . . ?
C12 C11 C15 120.9(4) . . ?
C15 C11 Ru1 130.2(3) . . ?
Ru1 C12 H12 129.6 . . ?
C11 C12 Ru1 72.1(2) . . ?
C11 C12 H12 118.5 . . ?
C13 C12 Ru1 72.5(2) . . ?
C13 C12 C11 123.0(3) . . ?
C13 C12 H12 118.5 . . ?
Ru1 C13 H13 130.5 . . ?
C8 C13 Ru1 72.1(2) . . ?
C8 C13 H13 119.9 . . ?
C12 C13 Ru1 70.2(2) . . ?
C12 C13 C8 120.3(4) . . ?
C12 C13 H13 119.9 . . ?
C8 C14 H14A 109.5 . . ?
C8 C14 H14B 109.5 . . ?
C8 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C11 C15 H15 109.7 . . ?
C11 C15 H15A 110.1 . . ?
C11 C15 C16A 118.1(7) . . ?
C17 C15 C11 108.0(5) . . ?
C17 C15 H15 109.7 . . ?
C17 C15 H15A 110.1 . . ?
C17 C15 C16A 99.7(8) . . ?
C16 C15 C11 116.0(6) . . ?
C16 C15 H15 109.7 . . ?
C16 C15 C17 103.6(8) . . ?
C16A C15 H15A 110.1 . . ?
C15 C17 H17A 109.5 . . ?
C15 C17 H17B 109.5 . . ?
C15 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C15 C16A H16D 109.5 . . ?
C15 C16A H16E 109.5 . . ?
C15 C16A H16F 109.5 . . ?
H16D C16A H16E 109.5 . . ?
H16D C16A H16F 109.5 . . ?
H16E C16A H16F 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
Ru1 N1 C1 O1 -179.8(2) . . . 3_665 ?
Ru1 N1 C1 C2 -1.7(5) . . . . ?
Ru1 C8 C9 C10 -51.5(3) . . . . ?
Ru1 C8 C13 C12 53.1(3) . . . . ?
Ru1 C9 C10 C11 -55.7(3) . . . . ?
Ru1 C10 C11 C12 -53.7(3) . . . . ?
Ru1 C10 C11 C15 125.3(4) . . . . ?
Ru1 C11 C12 C13 -54.1(3) . . . . ?
Ru1 C11 C15 C17 -172.9(7) . . . . ?
Ru1 C11 C15 C16 71.5(8) . . . . ?
Ru1 C11 C15 C16A -60.9(10) . . . . ?
Ru1 C12 C13 C8 -53.9(3) . . . . ?
O1 C1 C2 C3 109.9(4) 3_665 . . . ?
O1 C1 C2 C7 -67.4(5) 3_665 . . . ?
N1 N1 C1 O1 -1.3(5) 3_665 . . 3_665 ?
N1 N1 C1 C2 176.7(3) 3_665 . . . ?
N1 C1 C2 C3 -68.3(5) . . . . ?
N1 C1 C2 C7 114.4(4) . . . . ?
C1 C2 C3 C4 -177.7(3) . . . . ?
C1 C2 C7 C6 178.0(4) . . . . ?
C2 C3 C4 C5 -0.5(6) . . . . ?
C3 C2 C7 C6 0.7(7) . . . . ?
C3 C4 C5 C6 1.2(7) . . . . ?
C4 C5 C6 C7 -1.0(8) . . . . ?
C5 C6 C7 C2 0.0(8) . . . . ?
C7 C2 C3 C4 -0.5(6) . . . . ?
C8 C9 C10 Ru1 52.9(3) . . . . ?
C8 C9 C10 C11 -2.8(6) . . . . ?
C9 C8 C13 Ru1 -53.7(3) . . . . ?
C9 C8 C13 C12 -0.6(5) . . . . ?
C9 C10 C11 Ru1 55.7(3) . . . . ?
C9 C10 C11 C12 2.0(5) . . . . ?
C9 C10 C11 C15 -179.1(4) . . . . ?
C10 C11 C12 Ru1 53.5(3) . . . . ?
C10 C11 C12 C13 -0.6(5) . . . . ?
C10 C11 C15 C17 96.9(8) . . . . ?
C10 C11 C15 C16 -18.8(8) . . . . ?
C10 C11 C15 C16A -151.2(9) . . . . ?
C11 C12 C13 Ru1 53.9(3) . . . . ?
C11 C12 C13 C8 0.0(6) . . . . ?
C12 C11 C15 C17 -84.3(8) . . . . ?
C12 C11 C15 C16 160.1(7) . . . . ?
C12 C11 C15 C16A 27.7(10) . . . . ?
C13 C8 C9 Ru1 53.5(3) . . . . ?
C13 C8 C9 C10 2.0(5) . . . . ?
C14 C8 C9 Ru1 -123.6(4) . . . . ?
C14 C8 C9 C10 -175.2(4) . . . . ?
C14 C8 C13 Ru1 123.5(4) . . . . ?
C14 C8 C13 C12 176.6(4) . . . . ?
C15 C11 C12 Ru1 -125.5(4) . . . . ?
C15 C11 C12 C13 -179.6(4) . . . . ?

_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 1.441
_oxdiff_exptl_absorpt_empirical_full_min 0.516
