# Electronic Supplementary Material (ESI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2020

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_gp1
_database_code_depnum_ccdc_archive 'CCDC 2004416'
loop_
_audit_author_name
_audit_author_address
'Nattamai S. P. Bhuvanesh'
;Xray Diffraction Lab, Department of Chemistry, Texas A M University, College Station,  USA
United States of America
;
_audit_update_record             
;
2020-05-18 deposited with the CCDC.	2020-09-24 downloaded from the CCDC.
;
_audit_creation_date             2017-08-17
_audit_creation_method           
;
Olex2 1.2-beta
(compiled 2017.03.28 svn.r3405 for OlexSys, GUI svn.r5335)
;
_shelx_SHELXL_version_number     2017/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C24 H32 Cl2 N4 O3 Ru'
_chemical_formula_sum            'C24 H32 Cl2 N4 O3 Ru'
_chemical_formula_weight         596.50
_chemical_melting_point          ?
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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   12.2293(10)
_cell_length_b                   15.4509(13)
_cell_length_c                   15.9391(13)
_cell_angle_alpha                67.587(3)
_cell_angle_beta                 70.606(3)
_cell_angle_gamma                77.965(3)
_cell_volume                     2614.6(4)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9313
_cell_measurement_temperature    100.0
_cell_measurement_theta_max      27.593
_cell_measurement_theta_min      2.382
_shelx_estimated_absorpt_T_max   0.911
_shelx_estimated_absorpt_T_min   0.839
_exptl_absorpt_coefficient_mu    0.836
_exptl_absorpt_correction_T_max  0.4305
_exptl_absorpt_correction_T_min  0.3867
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.1059 before and 0.0669 after correction. The Ratio of minimum to maximum transmission is 0.8983. The λ/2 correction factor is Not present.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            brown
_exptl_crystal_colour_primary    brown
_exptl_crystal_density_diffrn    1.515
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1224
_exptl_crystal_size_max          0.217
_exptl_crystal_size_mid          0.128
_exptl_crystal_size_min          0.114
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0340
_diffrn_reflns_av_unetI/netI     0.0203
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            104658
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.593
_diffrn_reflns_theta_min         2.578
_diffrn_ambient_temperature      100.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_special_details          ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                10430
_reflns_number_total             12026
_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       'SAINT v8.37A (Bruker, 2015)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.946
_refine_diff_density_min         -0.640
_refine_diff_density_rms         0.086
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.115
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     628
_refine_ls_number_reflns         12026
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0402
_refine_ls_R_factor_gt           0.0310
_refine_ls_restrained_S_all      1.115
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0176P)²+4.7341P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0639
_refine_ls_wR_factor_ref         0.0684
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All N(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Rotating group:
 N3(H3A,H3B), N3B(H3BA,H3BB), N4B(H4BA,H4BB)
2.b Ternary CH refined with riding coordinates:
 C21(H21), C21B(H21B)
2.c Secondary CH2 refined with riding coordinates:
 C5(H5A,H5B), C5B(H5BA,H5BB)
2.d Aromatic/amide H refined with riding coordinates:
 C1(H1), C7(H7), C11(H11), C16(H16), C17(H17), C19(H19), C20(H20), C1B(H1B),
 C7B(H7B), C11B(H11B), C16B(H16B), C17B(H17B), C19B(H19B), C20B(H20B)
2.e X=CH2 refined with riding coordinates:
 N4(H4A,H4B)
2.f Idealised Me refined as rotating group:
 C12(H12A,H12B,H12C), C13(H13A,H13B,H13C), C14(H14A,H14B,H14C), C22(H22A,H22B,
 H22C), C23(H23A,H23B,H23C), C24(H24A,H24B,H24C), C12B(H12D,H12E,H12F),
 C13B(H13D,H13E,H13F), C14B(H14D,H14E,H14F), C22B(H22D,H22E,H22F), C23B(H23D,
 H23E,H23F), C24B(H24D,H24E,H24F)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.72735(2) 0.74628(2) 0.20411(2) 0.01135(5) Uani 1 1 d . . . . .
Cl1 Cl 0.90128(5) 0.76954(4) 0.22991(4) 0.01733(11) Uani 1 1 d . . . . .
Cl2 Cl 0.81276(5) 0.58661(4) 0.21516(4) 0.01711(11) Uani 1 1 d . . . . .
O1 O 0.27403(14) 0.97576(12) 0.56429(12) 0.0203(3) Uani 1 1 d . . . . .
O2 O 0.28024(14) 1.00395(12) 0.71803(12) 0.0215(4) Uani 1 1 d . . . . .
O3 O 0.45124(15) 0.91874(13) 0.80149(12) 0.0234(4) Uani 1 1 d . . . . .
N1 N 0.65769(16) 0.70059(13) 0.35512(12) 0.0124(4) Uani 1 1 d . . . . .
N2 N 0.54739(16) 0.60321(13) 0.50405(13) 0.0140(4) Uani 1 1 d . . . . .
N3 N 0.52693(17) 0.62600(14) 0.64346(13) 0.0170(4) Uani 1 1 d . . . . .
H3A H 0.523138 0.564414 0.667592 0.020 Uiso 1 1 d GR . . . .
H3B H 0.573339 0.641044 0.667112 0.020 Uiso 1 1 d GR . . . .
N4 N 0.56225(17) 0.57838(13) 0.36750(13) 0.0154(4) Uani 1 1 d . . . . .
H4A H 0.517413 0.532259 0.401894 0.018 Uiso 1 1 calc R . . . .
H4B H 0.588414 0.591956 0.305833 0.018 Uiso 1 1 calc R . . . .
C1 C 0.67546(19) 0.75205(15) 0.40152(15) 0.0139(4) Uani 1 1 d . . . . .
H1 H 0.719118 0.804872 0.365180 0.017 Uiso 1 1 calc R . . . .
C2 C 0.63452(18) 0.73257(15) 0.49691(16) 0.0138(4) Uani 1 1 d . . . . .
C3 C 0.56975(18) 0.65287(15) 0.54840(15) 0.0138(4) Uani 1 1 d . . . . .
C4 C 0.59090(18) 0.62830(15) 0.40934(15) 0.0125(4) Uani 1 1 d . . . . .
C5 C 0.66040(19) 0.78935(16) 0.54514(16) 0.0165(4) Uani 1 1 d . . . . .
H5A H 0.714261 0.836157 0.497626 0.020 Uiso 1 1 calc R . . . .
H5B H 0.700915 0.746959 0.592492 0.020 Uiso 1 1 calc R . . . .
C6 C 0.55382(19) 0.84049(15) 0.59410(16) 0.0149(4) Uani 1 1 d . . . . .
C7 C 0.4612(2) 0.87987(16) 0.55488(16) 0.0158(4) Uani 1 1 d . . . . .
H7 H 0.461287 0.870702 0.499215 0.019 Uiso 1 1 calc R . . . .
C8 C 0.36846(19) 0.93275(16) 0.59741(16) 0.0160(4) Uani 1 1 d . . . . .
C9 C 0.3682(2) 0.94612(16) 0.67932(16) 0.0171(5) Uani 1 1 d . . . . .
C10 C 0.4601(2) 0.90408(16) 0.71971(16) 0.0168(5) Uani 1 1 d . . . . .
C11 C 0.5530(2) 0.85152(16) 0.67706(16) 0.0167(4) Uani 1 1 d . . . . .
H11 H 0.615572 0.823303 0.704385 0.020 Uiso 1 1 calc R . . . .
C12 C 0.2695(2) 0.96309(19) 0.48135(18) 0.0246(5) Uani 1 1 d . . . . .
H12A H 0.340917 0.982319 0.430605 0.037 Uiso 1 1 calc GR . . . .
H12B H 0.202036 1.001549 0.461497 0.037 Uiso 1 1 calc GR . . . .
H12C H 0.262605 0.896699 0.495034 0.037 Uiso 1 1 calc GR . . . .
C13 C 0.1820(2) 0.9556(2) 0.78477(18) 0.0274(6) Uani 1 1 d . . . . .
H13A H 0.149690 0.927264 0.753721 0.041 Uiso 1 1 calc GR . . . .
H13B H 0.122517 1.000270 0.808863 0.041 Uiso 1 1 calc GR . . . .
H13C H 0.206667 0.906207 0.837378 0.041 Uiso 1 1 calc GR . . . .
C14 C 0.5471(2) 0.8803(2) 0.84109(19) 0.0271(6) Uani 1 1 d . . . . .
H14A H 0.618321 0.906751 0.794891 0.041 Uiso 1 1 calc GR . . . .
H14B H 0.556601 0.811828 0.857355 0.041 Uiso 1 1 calc GR . . . .
H14C H 0.532178 0.896055 0.898186 0.041 Uiso 1 1 calc GR . . . .
C15 C 0.7588(2) 0.79765(16) 0.05038(15) 0.0171(5) Uani 1 1 d . . . . .
C16 C 0.7589(2) 0.87159(16) 0.08144(15) 0.0166(5) Uani 1 1 d . . . . .
H16 H 0.823767 0.907866 0.053037 0.020 Uiso 1 1 calc R . . . .
C17 C 0.6647(2) 0.89400(15) 0.15424(16) 0.0167(5) Uani 1 1 d . . . . .
H17 H 0.667401 0.944620 0.173244 0.020 Uiso 1 1 calc R . . . .
C18 C 0.5676(2) 0.84051(16) 0.19782(16) 0.0164(5) Uani 1 1 d . . . . .
C19 C 0.56492(19) 0.76566(17) 0.16746(16) 0.0171(5) Uani 1 1 d . . . . .
H19 H 0.499508 0.729979 0.195180 0.020 Uiso 1 1 calc R . . . .
C20 C 0.6597(2) 0.74452(16) 0.09602(16) 0.0167(4) Uani 1 1 d . . . . .
H20 H 0.657563 0.693292 0.077691 0.020 Uiso 1 1 calc R . . . .
C21 C 0.8596(2) 0.76905(19) -0.02304(17) 0.0246(5) Uani 1 1 d . . . . .
H21 H 0.869353 0.698745 -0.000001 0.030 Uiso 1 1 calc R . . . .
C22 C 0.9740(2) 0.8009(2) -0.0351(2) 0.0376(7) Uani 1 1 d . . . . .
H22A H 0.970858 0.869586 -0.063352 0.056 Uiso 1 1 calc GR . . . .
H22B H 1.036877 0.772664 -0.076498 0.056 Uiso 1 1 calc GR . . . .
H22C H 0.988501 0.781192 0.026733 0.056 Uiso 1 1 calc GR . . . .
C23 C 0.8278(3) 0.8000(2) -0.1153(2) 0.0421(8) Uani 1 1 d . . . . .
H23A H 0.755830 0.773667 -0.104062 0.063 Uiso 1 1 calc GR . . . .
H23B H 0.890828 0.777503 -0.161333 0.063 Uiso 1 1 calc GR . . . .
H23C H 0.816102 0.868809 -0.140093 0.063 Uiso 1 1 calc GR . . . .
C24 C 0.4704(2) 0.85868(18) 0.27922(18) 0.0233(5) Uani 1 1 d . . . . .
H24A H 0.439875 0.799116 0.323888 0.035 Uiso 1 1 calc GR . . . .
H24B H 0.407874 0.901442 0.255047 0.035 Uiso 1 1 calc GR . . . .
H24C H 0.500480 0.887268 0.311442 0.035 Uiso 1 1 calc GR . . . .
Ru1B Ru 0.69340(2) 0.45573(2) 0.85085(2) 0.01218(5) Uani 1 1 d . . . . .
Cl1B Cl 0.62527(5) 0.62121(4) 0.82242(4) 0.01814(11) Uani 1 1 d . . . . .
Cl2B Cl 0.50768(5) 0.44028(4) 0.83605(4) 0.01592(11) Uani 1 1 d . . . . .
O1B O 1.05297(14) 0.14797(11) 0.51778(11) 0.0186(3) Uani 1 1 d . . . . .
O2B O 1.05325(16) 0.15441(13) 0.34804(13) 0.0257(4) Uani 1 1 d . . . . .
O3B O 0.88433(18) 0.26080(14) 0.26687(13) 0.0333(5) Uani 1 1 d . . . . .
N1B N 0.75948(16) 0.49052(13) 0.69911(13) 0.0135(4) Uani 1 1 d . . . . .
N2B N 0.87558(17) 0.57492(14) 0.54580(13) 0.0174(4) Uani 1 1 d . . . . .
N3B N 0.88036(18) 0.55004(15) 0.41171(14) 0.0227(4) Uani 1 1 d . . . . .
H3BA H 0.831201 0.535220 0.390180 0.027 Uiso 1 1 d GR . . . .
H3BB H 0.884652 0.611630 0.386671 0.027 Uiso 1 1 d GR . . . .
N4B N 0.87903(18) 0.60110(15) 0.67704(14) 0.0207(4) Uani 1 1 d . . . . .
H4BA H 0.910302 0.651738 0.632164 0.025 Uiso 1 1 d GR . . . .
H4BB H 0.822302 0.618988 0.720644 0.025 Uiso 1 1 d GR . . . .
C1B C 0.72792(19) 0.44146(16) 0.65699(16) 0.0151(4) Uani 1 1 d . . . . .
H1B H 0.673280 0.396556 0.695922 0.018 Uiso 1 1 calc R . . . .
C2B C 0.76864(19) 0.45174(16) 0.56324(16) 0.0158(4) Uani 1 1 d . . . . .
C3B C 0.84269(19) 0.52544(16) 0.50680(15) 0.0163(5) Uani 1 1 d . . . . .
C4B C 0.83626(19) 0.55450(16) 0.63976(16) 0.0156(4) Uani 1 1 d . . . . .
C5B C 0.7231(2) 0.39797(17) 0.52225(17) 0.0190(5) Uani 1 1 d . . . . .
H5BA H 0.686137 0.444062 0.474066 0.023 Uiso 1 1 calc R . . . .
H5BB H 0.661249 0.360781 0.573319 0.023 Uiso 1 1 calc R . . . .
C6B C 0.8107(2) 0.33184(16) 0.47711(16) 0.0158(4) Uani 1 1 d . . . . .
C7B C 0.89256(19) 0.27209(16) 0.52127(16) 0.0157(4) Uani 1 1 d . . . . .
H7B H 0.895865 0.273773 0.579336 0.019 Uiso 1 1 calc R . . . .
C8B C 0.96972(19) 0.20971(16) 0.47990(16) 0.0156(4) Uani 1 1 d . . . . .
C9B C 0.9674(2) 0.20858(16) 0.39298(16) 0.0167(5) Uani 1 1 d . . . . .
C10B C 0.8827(2) 0.26734(18) 0.35056(16) 0.0211(5) Uani 1 1 d . . . . .
C11B C 0.8049(2) 0.32849(17) 0.39273(16) 0.0194(5) Uani 1 1 d . . . . .
H11B H 0.747402 0.368165 0.363770 0.023 Uiso 1 1 calc R . . . .
C12B C 1.0582(2) 0.14902(19) 0.60595(17) 0.0233(5) Uani 1 1 d . . . . .
H12D H 1.073813 0.211785 0.597989 0.035 Uiso 1 1 calc GR . . . .
H12E H 1.120632 0.102709 0.626331 0.035 Uiso 1 1 calc GR . . . .
H12F H 0.983670 0.133290 0.653784 0.035 Uiso 1 1 calc GR . . . .
C13B C 1.0212(3) 0.0682(2) 0.3588(2) 0.0362(7) Uani 1 1 d . . . . .
H13D H 1.084397 0.037434 0.319965 0.054 Uiso 1 1 calc GR . . . .
H13E H 0.950586 0.078856 0.338724 0.054 Uiso 1 1 calc GR . . . .
H13F H 1.006241 0.027955 0.425351 0.054 Uiso 1 1 calc GR . . . .
C14B C 0.7912(3) 0.3149(3) 0.2270(2) 0.0537(11) Uani 1 1 d . . . . .
H14D H 0.797423 0.301920 0.169925 0.081 Uiso 1 1 calc GR . . . .
H14E H 0.796656 0.382053 0.210725 0.081 Uiso 1 1 calc GR . . . .
H14F H 0.716134 0.297515 0.273261 0.081 Uiso 1 1 calc GR . . . .
C15B C 0.7346(2) 0.30424(16) 0.91689(16) 0.0179(5) Uani 1 1 d . . . . .
C16B C 0.8618(2) 0.42523(17) 0.88211(17) 0.0202(5) Uani 1 1 d . . . . .
H16B H 0.933198 0.452605 0.847561 0.024 Uiso 1 1 calc R . . . .
C17B C 0.8383(2) 0.34841(16) 0.86539(16) 0.0180(5) Uani 1 1 d . . . . .
H17B H 0.893610 0.325984 0.818394 0.022 Uiso 1 1 calc R . . . .
C18B C 0.7796(2) 0.46174(18) 0.95001(18) 0.0231(5) Uani 1 1 d . . . . .
C19B C 0.6522(2) 0.34246(17) 0.98461(16) 0.0210(5) Uani 1 1 d . . . . .
H19B H 0.580876 0.314978 1.019178 0.025 Uiso 1 1 calc R . . . .
C20B C 0.6732(2) 0.41868(18) 1.00158(16) 0.0229(5) Uani 1 1 d . . . . .
H20B H 0.616848 0.442044 1.047434 0.028 Uiso 1 1 calc R . . . .
C21B C 0.7098(2) 0.21904(17) 0.90288(18) 0.0244(5) Uani 1 1 d . . . . .
H21B H 0.624831 0.224386 0.908971 0.029 Uiso 1 1 calc R . . . .
C22B C 0.7784(3) 0.2074(2) 0.8069(2) 0.0324(6) Uani 1 1 d . . . . .
H22D H 0.762065 0.263970 0.755774 0.049 Uiso 1 1 calc GR . . . .
H22E H 0.754915 0.152706 0.802611 0.049 Uiso 1 1 calc GR . . . .
H22F H 0.861985 0.198145 0.801262 0.049 Uiso 1 1 calc GR . . . .
C23B C 0.7379(3) 0.1305(2) 0.9817(2) 0.0359(7) Uani 1 1 d . . . . .
H23D H 0.821765 0.122112 0.974821 0.054 Uiso 1 1 calc GR . . . .
H23E H 0.714711 0.075654 0.977567 0.054 Uiso 1 1 calc GR . . . .
H23F H 0.695285 0.137273 1.043286 0.054 Uiso 1 1 calc GR . . . .
C24B C 0.7997(3) 0.5457(2) 0.9669(2) 0.0366(7) Uani 1 1 d . . . . .
H24D H 0.859009 0.580735 0.912418 0.055 Uiso 1 1 calc GR . . . .
H24E H 0.826249 0.524653 1.023766 0.055 Uiso 1 1 calc GR . . . .
H24F H 0.726805 0.586518 0.975471 0.055 Uiso 1 1 calc GR . . . .


_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 2.4156(6) . ?
Ru1 Cl2 2.4340(6) . ?
Ru1 N1 2.1472(18) . ?
Ru1 C15 2.191(2) . ?
Ru1 C16 2.155(2) . ?
Ru1 C17 2.173(2) . ?
Ru1 C18 2.186(2) . ?
Ru1 C19 2.183(2) . ?
Ru1 C20 2.155(2) . ?
O1 C8 1.368(3) . ?
O1 C12 1.428(3) . ?
O2 C9 1.384(3) . ?
O2 C13 1.432(3) . ?
O3 C10 1.372(3) . ?
O3 C14 1.429(3) . ?
N1 C1 1.361(3) . ?
N1 C4 1.356(3) . ?
N2 C3 1.339(3) . ?
N2 C4 1.349(3) . ?
N3 H3A 0.8849 . ?
N3 H3B 0.8844 . ?
N3 C3 1.351(3) . ?
N4 H4A 0.8800 . ?
N4 H4B 0.8800 . ?
N4 C4 1.350(3) . ?
C1 H1 0.9500 . ?
C1 C2 1.364(3) . ?
C2 C3 1.422(3) . ?
C2 C5 1.501(3) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C5 C6 1.516(3) . ?
C6 C7 1.391(3) . ?
C6 C11 1.393(3) . ?
C7 H7 0.9500 . ?
C7 C8 1.393(3) . ?
C8 C9 1.396(3) . ?
C9 C10 1.398(3) . ?
C10 C11 1.392(3) . ?
C11 H11 0.9500 . ?
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 1.408(3) . ?
C15 C20 1.430(3) . ?
C15 C21 1.515(3) . ?
C16 H16 0.9500 . ?
C16 C17 1.430(3) . ?
C17 H17 0.9500 . ?
C17 C18 1.414(3) . ?
C18 C19 1.423(3) . ?
C18 C24 1.513(3) . ?
C19 H19 0.9500 . ?
C19 C20 1.413(3) . ?
C20 H20 0.9500 . ?
C21 H21 1.0000 . ?
C21 C22 1.507(4) . ?
C21 C23 1.520(4) . ?
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 . ?
Ru1B Cl1B 2.4323(6) . ?
Ru1B Cl2B 2.4281(6) . ?
Ru1B N1B 2.1641(18) . ?
Ru1B C15B 2.196(2) . ?
Ru1B C16B 2.193(2) . ?
Ru1B C17B 2.167(2) . ?
Ru1B C18B 2.208(2) . ?
Ru1B C19B 2.161(2) . ?
Ru1B C20B 2.186(2) . ?
O1B C8B 1.369(3) . ?
O1B C12B 1.434(3) . ?
O2B C9B 1.381(3) . ?
O2B C13B 1.398(3) . ?
O3B C10B 1.369(3) . ?
O3B C14B 1.442(3) . ?
N1B C1B 1.363(3) . ?
N1B C4B 1.356(3) . ?
N2B C3B 1.338(3) . ?
N2B C4B 1.341(3) . ?
N3B H3BA 0.8866 . ?
N3B H3BB 0.8860 . ?
N3B C3B 1.351(3) . ?
N4B H4BA 0.8868 . ?
N4B H4BB 0.8871 . ?
N4B C4B 1.355(3) . ?
C1B H1B 0.9500 . ?
C1B C2B 1.365(3) . ?
C2B C3B 1.426(3) . ?
C2B C5B 1.509(3) . ?
C5B H5BA 0.9900 . ?
C5B H5BB 0.9900 . ?
C5B C6B 1.517(3) . ?
C6B C7B 1.391(3) . ?
C6B C11B 1.391(3) . ?
C7B H7B 0.9500 . ?
C7B C8B 1.395(3) . ?
C8B C9B 1.402(3) . ?
C9B C10B 1.399(3) . ?
C10B C11B 1.391(3) . ?
C11B H11B 0.9500 . ?
C12B H12D 0.9800 . ?
C12B H12E 0.9800 . ?
C12B H12F 0.9800 . ?
C13B H13D 0.9800 . ?
C13B H13E 0.9800 . ?
C13B H13F 0.9800 . ?
C14B H14D 0.9800 . ?
C14B H14E 0.9800 . ?
C14B H14F 0.9800 . ?
C15B C17B 1.411(3) . ?
C15B C19B 1.430(3) . ?
C15B C21B 1.520(3) . ?
C16B H16B 0.9500 . ?
C16B C17B 1.413(3) . ?
C16B C18B 1.416(4) . ?
C17B H17B 0.9500 . ?
C18B C20B 1.429(4) . ?
C18B C24B 1.503(4) . ?
C19B H19B 0.9500 . ?
C19B C20B 1.393(4) . ?
C20B H20B 0.9500 . ?
C21B H21B 1.0000 . ?
C21B C22B 1.540(4) . ?
C21B C23B 1.532(4) . ?
C22B H22D 0.9800 . ?
C22B H22E 0.9800 . ?
C22B H22F 0.9800 . ?
C23B H23D 0.9800 . ?
C23B H23E 0.9800 . ?
C23B H23F 0.9800 . ?
C24B H24D 0.9800 . ?
C24B H24E 0.9800 . ?
C24B H24F 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
Cl1 Ru1 Cl2 87.11(2) . . ?
N1 Ru1 Cl1 86.13(5) . . ?
N1 Ru1 Cl2 89.63(5) . . ?
N1 Ru1 C15 167.59(8) . . ?
N1 Ru1 C16 141.82(8) . . ?
N1 Ru1 C17 105.46(8) . . ?
N1 Ru1 C18 86.90(8) . . ?
N1 Ru1 C19 98.30(8) . . ?
N1 Ru1 C20 130.93(8) . . ?
C15 Ru1 Cl1 105.50(6) . . ?
C15 Ru1 Cl2 95.19(6) . . ?
C16 Ru1 Cl1 86.62(6) . . ?
C16 Ru1 Cl2 127.34(6) . . ?
C16 Ru1 C15 37.80(9) . . ?
C16 Ru1 C17 38.58(8) . . ?
C16 Ru1 C18 69.02(9) . . ?
C16 Ru1 C19 80.96(9) . . ?
C16 Ru1 C20 68.18(9) . . ?
C17 Ru1 Cl1 96.54(6) . . ?
C17 Ru1 Cl2 164.65(6) . . ?
C17 Ru1 C15 69.46(9) . . ?
C17 Ru1 C18 37.86(9) . . ?
C17 Ru1 C19 68.35(9) . . ?
C18 Ru1 Cl1 128.63(6) . . ?
C18 Ru1 Cl2 143.64(6) . . ?
C18 Ru1 C15 82.44(8) . . ?
C19 Ru1 Cl1 164.87(6) . . ?
C19 Ru1 Cl2 107.28(6) . . ?
C19 Ru1 C15 69.35(9) . . ?
C19 Ru1 C18 38.02(9) . . ?
C20 Ru1 Cl1 142.35(6) . . ?
C20 Ru1 Cl2 86.81(6) . . ?
C20 Ru1 C15 38.40(9) . . ?
C20 Ru1 C17 81.19(9) . . ?
C20 Ru1 C18 68.86(9) . . ?
C20 Ru1 C19 38.01(9) . . ?
C8 O1 C12 117.16(18) . . ?
C9 O2 C13 113.35(19) . . ?
C10 O3 C14 116.50(19) . . ?
C1 N1 Ru1 117.63(14) . . ?
C4 N1 Ru1 126.42(15) . . ?
C4 N1 C1 115.82(18) . . ?
C3 N2 C4 118.68(19) . . ?
H3A N3 H3B 108.9 . . ?
C3 N3 H3A 110.0 . . ?
C3 N3 H3B 109.4 . . ?
H4A N4 H4B 120.0 . . ?
C4 N4 H4A 120.0 . . ?
C4 N4 H4B 120.0 . . ?
N1 C1 H1 117.9 . . ?
N1 C1 C2 124.1(2) . . ?
C2 C1 H1 117.9 . . ?
C1 C2 C3 116.0(2) . . ?
C1 C2 C5 122.1(2) . . ?
C3 C2 C5 121.9(2) . . ?
N2 C3 N3 117.9(2) . . ?
N2 C3 C2 121.0(2) . . ?
N3 C3 C2 121.0(2) . . ?
N2 C4 N1 124.3(2) . . ?
N2 C4 N4 116.44(19) . . ?
N4 C4 N1 119.27(19) . . ?
C2 C5 H5A 108.7 . . ?
C2 C5 H5B 108.7 . . ?
C2 C5 C6 114.30(19) . . ?
H5A C5 H5B 107.6 . . ?
C6 C5 H5A 108.7 . . ?
C6 C5 H5B 108.7 . . ?
C7 C6 C5 121.0(2) . . ?
C7 C6 C11 120.5(2) . . ?
C11 C6 C5 118.4(2) . . ?
C6 C7 H7 120.1 . . ?
C6 C7 C8 119.8(2) . . ?
C8 C7 H7 120.1 . . ?
O1 C8 C7 124.8(2) . . ?
O1 C8 C9 115.1(2) . . ?
C7 C8 C9 120.1(2) . . ?
O2 C9 C8 120.2(2) . . ?
O2 C9 C10 120.1(2) . . ?
C8 C9 C10 119.6(2) . . ?
O3 C10 C9 115.8(2) . . ?
O3 C10 C11 124.0(2) . . ?
C11 C10 C9 120.3(2) . . ?
C6 C11 H11 120.2 . . ?
C10 C11 C6 119.6(2) . . ?
C10 C11 H11 120.2 . . ?
O1 C12 H12A 109.5 . . ?
O1 C12 H12B 109.5 . . ?
O1 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
O2 C13 H13A 109.5 . . ?
O2 C13 H13B 109.5 . . ?
O2 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
O3 C14 H14A 109.5 . . ?
O3 C14 H14B 109.5 . . ?
O3 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C16 C15 Ru1 69.72(12) . . ?
C16 C15 C20 116.7(2) . . ?
C16 C15 C21 123.6(2) . . ?
C20 C15 Ru1 69.44(12) . . ?
C20 C15 C21 119.6(2) . . ?
C21 C15 Ru1 128.48(16) . . ?
Ru1 C16 H16 130.0 . . ?
C15 C16 Ru1 72.49(13) . . ?
C15 C16 H16 118.8 . . ?
C15 C16 C17 122.3(2) . . ?
C17 C16 Ru1 71.37(12) . . ?
C17 C16 H16 118.8 . . ?
Ru1 C17 H17 130.9 . . ?
C16 C17 Ru1 70.05(12) . . ?
C16 C17 H17 120.1 . . ?
C18 C17 Ru1 71.58(13) . . ?
C18 C17 C16 119.7(2) . . ?
C18 C17 H17 120.1 . . ?
C17 C18 Ru1 70.55(13) . . ?
C17 C18 C19 119.1(2) . . ?
C17 C18 C24 120.8(2) . . ?
C19 C18 Ru1 70.88(12) . . ?
C19 C18 C24 120.0(2) . . ?
C24 C18 Ru1 127.93(16) . . ?
Ru1 C19 H19 131.8 . . ?
C18 C19 Ru1 71.10(13) . . ?
C18 C19 H19 120.1 . . ?
C20 C19 Ru1 69.93(13) . . ?
C20 C19 C18 119.9(2) . . ?
C20 C19 H19 120.1 . . ?
Ru1 C20 H20 129.5 . . ?
C15 C20 Ru1 72.15(13) . . ?
C15 C20 H20 118.9 . . ?
C19 C20 Ru1 72.07(13) . . ?
C19 C20 C15 122.2(2) . . ?
C19 C20 H20 118.9 . . ?
C15 C21 H21 106.6 . . ?
C15 C21 C23 109.6(2) . . ?
C22 C21 C15 113.8(2) . . ?
C22 C21 H21 106.6 . . ?
C22 C21 C23 113.0(2) . . ?
C23 C21 H21 106.6 . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C21 C23 H23A 109.5 . . ?
C21 C23 H23B 109.5 . . ?
C21 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C18 C24 H24A 109.5 . . ?
C18 C24 H24B 109.5 . . ?
C18 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
Cl2B Ru1B Cl1B 85.75(2) . . ?
N1B Ru1B Cl1B 87.48(5) . . ?
N1B Ru1B Cl2B 87.33(5) . . ?
N1B Ru1B C15B 108.18(8) . . ?
N1B Ru1B C16B 97.59(8) . . ?
N1B Ru1B C17B 88.60(8) . . ?
N1B Ru1B C18B 128.45(9) . . ?
N1B Ru1B C20B 165.47(8) . . ?
C15B Ru1B Cl1B 164.33(6) . . ?
C15B Ru1B Cl2B 95.05(6) . . ?
C15B Ru1B C18B 81.31(9) . . ?
C16B Ru1B Cl1B 110.26(7) . . ?
C16B Ru1B Cl2B 163.36(7) . . ?
C16B Ru1B C15B 68.31(9) . . ?
C16B Ru1B C18B 37.55(9) . . ?
C17B Ru1B Cl1B 146.71(7) . . ?
C17B Ru1B Cl2B 127.07(7) . . ?
C17B Ru1B C15B 37.72(9) . . ?
C17B Ru1B C16B 37.81(9) . . ?
C17B Ru1B C18B 68.30(9) . . ?
C17B Ru1B C20B 80.67(9) . . ?
C18B Ru1B Cl1B 88.74(7) . . ?
C18B Ru1B Cl2B 143.52(7) . . ?
C19B Ru1B Cl1B 126.39(7) . . ?
C19B Ru1B Cl2B 86.65(7) . . ?
C19B Ru1B N1B 144.93(9) . . ?
C19B Ru1B C15B 38.30(9) . . ?
C19B Ru1B C16B 80.18(9) . . ?
C19B Ru1B C17B 68.13(9) . . ?
C19B Ru1B C18B 68.03(10) . . ?
C19B Ru1B C20B 37.38(10) . . ?
C20B Ru1B Cl1B 96.10(7) . . ?
C20B Ru1B Cl2B 106.94(7) . . ?
C20B Ru1B C15B 68.66(9) . . ?
C20B Ru1B C16B 67.95(9) . . ?
C20B Ru1B C18B 37.96(10) . . ?
C8B O1B C12B 116.27(18) . . ?
C9B O2B C13B 115.1(2) . . ?
C10B O3B C14B 116.1(2) . . ?
C1B N1B Ru1B 118.89(14) . . ?
C4B N1B Ru1B 126.29(15) . . ?
C4B N1B C1B 114.72(19) . . ?
C3B N2B C4B 118.5(2) . . ?
H3BA N3B H3BB 108.6 . . ?
C3B N3B H3BA 110.5 . . ?
C3B N3B H3BB 109.1 . . ?
H4BA N4B H4BB 108.7 . . ?
C4B N4B H4BA 110.1 . . ?
C4B N4B H4BB 110.1 . . ?
N1B C1B H1B 117.4 . . ?
N1B C1B C2B 125.1(2) . . ?
C2B C1B H1B 117.4 . . ?
C1B C2B C3B 115.0(2) . . ?
C1B C2B C5B 121.1(2) . . ?
C3B C2B C5B 123.3(2) . . ?
N2B C3B N3B 117.0(2) . . ?
N2B C3B C2B 121.3(2) . . ?
N3B C3B C2B 121.7(2) . . ?
N2B C4B N1B 125.1(2) . . ?
N2B C4B N4B 116.5(2) . . ?
N4B C4B N1B 118.4(2) . . ?
C2B C5B H5BA 108.1 . . ?
C2B C5B H5BB 108.1 . . ?
C2B C5B C6B 116.95(19) . . ?
H5BA C5B H5BB 107.3 . . ?
C6B C5B H5BA 108.1 . . ?
C6B C5B H5BB 108.1 . . ?
C7B C6B C5B 120.8(2) . . ?
C11B C6B C5B 119.0(2) . . ?
C11B C6B C7B 120.1(2) . . ?
C6B C7B H7B 120.1 . . ?
C6B C7B C8B 119.7(2) . . ?
C8B C7B H7B 120.1 . . ?
O1B C8B C7B 124.2(2) . . ?
O1B C8B C9B 115.3(2) . . ?
C7B C8B C9B 120.4(2) . . ?
O2B C9B C8B 119.3(2) . . ?
O2B C9B C10B 121.3(2) . . ?
C10B C9B C8B 119.2(2) . . ?
O3B C10B C9B 115.8(2) . . ?
O3B C10B C11B 124.1(2) . . ?
C11B C10B C9B 120.1(2) . . ?
C6B C11B H11B 119.8 . . ?
C10B C11B C6B 120.3(2) . . ?
C10B C11B H11B 119.8 . . ?
O1B C12B H12D 109.5 . . ?
O1B C12B H12E 109.5 . . ?
O1B C12B H12F 109.5 . . ?
H12D C12B H12E 109.5 . . ?
H12D C12B H12F 109.5 . . ?
H12E C12B H12F 109.5 . . ?
O2B C13B H13D 109.5 . . ?
O2B C13B H13E 109.5 . . ?
O2B C13B H13F 109.5 . . ?
H13D C13B H13E 109.5 . . ?
H13D C13B H13F 109.5 . . ?
H13E C13B H13F 109.5 . . ?
O3B C14B H14D 109.5 . . ?
O3B C14B H14E 109.5 . . ?
O3B C14B H14F 109.5 . . ?
H14D C14B H14E 109.5 . . ?
H14D C14B H14F 109.5 . . ?
H14E C14B H14F 109.5 . . ?
C17B C15B Ru1B 70.05(13) . . ?
C17B C15B C19B 117.2(2) . . ?
C17B C15B C21B 122.4(2) . . ?
C19B C15B Ru1B 69.54(13) . . ?
C19B C15B C21B 120.4(2) . . ?
C21B C15B Ru1B 131.95(16) . . ?
Ru1B C16B H16B 131.1 . . ?
C17B C16B Ru1B 70.13(13) . . ?
C17B C16B H16B 119.8 . . ?
C17B C16B C18B 120.5(2) . . ?
C18B C16B Ru1B 71.82(14) . . ?
C18B C16B H16B 119.8 . . ?
Ru1B C17B H17B 128.9 . . ?
C15B C17B Ru1B 72.23(13) . . ?
C15B C17B C16B 121.5(2) . . ?
C15B C17B H17B 119.2 . . ?
C16B C17B Ru1B 72.06(13) . . ?
C16B C17B H17B 119.2 . . ?
C16B C18B Ru1B 70.63(13) . . ?
C16B C18B C20B 118.6(2) . . ?
C16B C18B C24B 121.9(3) . . ?
C20B C18B Ru1B 70.17(13) . . ?
C20B C18B C24B 119.5(2) . . ?
C24B C18B Ru1B 129.45(18) . . ?
Ru1B C19B H19B 129.2 . . ?
C15B C19B Ru1B 72.16(13) . . ?
C15B C19B H19B 118.9 . . ?
C20B C19B Ru1B 72.26(14) . . ?
C20B C19B C15B 122.2(2) . . ?
C20B C19B H19B 118.9 . . ?
Ru1B C20B H20B 130.3 . . ?
C18B C20B Ru1B 71.86(13) . . ?
C18B C20B H20B 120.0 . . ?
C19B C20B Ru1B 70.36(13) . . ?
C19B C20B C18B 120.0(2) . . ?
C19B C20B H20B 120.0 . . ?
C15B C21B H21B 108.2 . . ?
C15B C21B C22B 114.8(2) . . ?
C15B C21B C23B 108.5(2) . . ?
C22B C21B H21B 108.2 . . ?
C23B C21B H21B 108.2 . . ?
C23B C21B C22B 108.6(2) . . ?
C21B C22B H22D 109.5 . . ?
C21B C22B H22E 109.5 . . ?
C21B C22B H22F 109.5 . . ?
H22D C22B H22E 109.5 . . ?
H22D C22B H22F 109.5 . . ?
H22E C22B H22F 109.5 . . ?
C21B C23B H23D 109.5 . . ?
C21B C23B H23E 109.5 . . ?
C21B C23B H23F 109.5 . . ?
H23D C23B H23E 109.5 . . ?
H23D C23B H23F 109.5 . . ?
H23E C23B H23F 109.5 . . ?
C18B C24B H24D 109.5 . . ?
C18B C24B H24E 109.5 . . ?
C18B C24B H24F 109.5 . . ?
H24D C24B H24E 109.5 . . ?
H24D C24B H24F 109.5 . . ?
H24E C24B H24F 109.5 . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
_geom_hbond_publ_flag
N3 H3A Cl2B 0.88 2.61 3.286(2) 133.9 . yes
N3 H3B Cl1B 0.88 2.65 3.416(2) 145.9 . yes
N4 H4A N2 0.88 2.18 3.038(3) 163.6 2_666 yes
N4 H4B Cl2 0.88 2.64 3.207(2) 122.9 . yes
N3B H3BA Cl2 0.89 2.67 3.315(2) 130.8 . yes
N3B H3BB Cl1 0.89 2.73 3.513(2) 147.8 . yes
N4B H4BB Cl1B 0.89 2.42 3.235(2) 153.2 . yes

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 C2 178.71(17) . . . . ?
Ru1 N1 C4 N2 -178.80(15) . . . . ?
Ru1 N1 C4 N4 -0.5(3) . . . . ?
Ru1 C15 C16 C17 -53.41(19) . . . . ?
Ru1 C15 C20 C19 54.20(19) . . . . ?
Ru1 C15 C21 C22 -69.2(3) . . . . ?
Ru1 C15 C21 C23 163.1(2) . . . . ?
Ru1 C16 C17 C18 -53.54(18) . . . . ?
Ru1 C17 C18 C19 -53.51(18) . . . . ?
Ru1 C17 C18 C24 123.3(2) . . . . ?
Ru1 C18 C19 C20 -52.04(19) . . . . ?
Ru1 C19 C20 C15 -54.24(19) . . . . ?
O1 C8 C9 O2 -3.7(3) . . . . ?
O1 C8 C9 C10 179.2(2) . . . . ?
O2 C9 C10 O3 4.5(3) . . . . ?
O2 C9 C10 C11 -175.3(2) . . . . ?
O3 C10 C11 C6 179.8(2) . . . . ?
N1 C1 C2 C3 0.0(3) . . . . ?
N1 C1 C2 C5 177.6(2) . . . . ?
C1 N1 C4 N2 -3.1(3) . . . . ?
C1 N1 C4 N4 175.15(19) . . . . ?
C1 C2 C3 N2 -2.6(3) . . . . ?
C1 C2 C3 N3 178.7(2) . . . . ?
C1 C2 C5 C6 117.2(2) . . . . ?
C2 C5 C6 C7 -37.1(3) . . . . ?
C2 C5 C6 C11 146.1(2) . . . . ?
C3 N2 C4 N1 0.8(3) . . . . ?
C3 N2 C4 N4 -177.53(19) . . . . ?
C3 C2 C5 C6 -65.4(3) . . . . ?
C4 N1 C1 C2 2.6(3) . . . . ?
C4 N2 C3 N3 -179.07(19) . . . . ?
C4 N2 C3 C2 2.2(3) . . . . ?
C5 C2 C3 N2 179.88(19) . . . . ?
C5 C2 C3 N3 1.2(3) . . . . ?
C5 C6 C7 C8 -175.0(2) . . . . ?
C5 C6 C11 C10 175.3(2) . . . . ?
C6 C7 C8 O1 179.0(2) . . . . ?
C6 C7 C8 C9 -0.1(3) . . . . ?
C7 C6 C11 C10 -1.4(3) . . . . ?
C7 C8 C9 O2 175.5(2) . . . . ?
C7 C8 C9 C10 -1.7(3) . . . . ?
C8 C9 C10 O3 -178.3(2) . . . . ?
C8 C9 C10 C11 1.9(3) . . . . ?
C9 C10 C11 C6 -0.4(3) . . . . ?
C11 C6 C7 C8 1.7(3) . . . . ?
C12 O1 C8 C7 1.7(3) . . . . ?
C12 O1 C8 C9 -179.2(2) . . . . ?
C13 O2 C9 C8 89.2(3) . . . . ?
C13 O2 C9 C10 -93.6(3) . . . . ?
C14 O3 C10 C9 -176.9(2) . . . . ?
C14 O3 C10 C11 2.9(3) . . . . ?
C15 C16 C17 Ru1 53.9(2) . . . . ?
C15 C16 C17 C18 0.4(3) . . . . ?
C16 C15 C20 Ru1 -52.90(18) . . . . ?
C16 C15 C20 C19 1.3(3) . . . . ?
C16 C15 C21 C22 20.6(3) . . . . ?
C16 C15 C21 C23 -107.1(3) . . . . ?
C16 C17 C18 Ru1 52.82(18) . . . . ?
C16 C17 C18 C19 -0.7(3) . . . . ?
C16 C17 C18 C24 176.1(2) . . . . ?
C17 C18 C19 Ru1 53.36(18) . . . . ?
C17 C18 C19 C20 1.3(3) . . . . ?
C18 C19 C20 Ru1 52.57(19) . . . . ?
C18 C19 C20 C15 -1.7(3) . . . . ?
C20 C15 C16 Ru1 52.77(18) . . . . ?
C20 C15 C16 C17 -0.6(3) . . . . ?
C20 C15 C21 C22 -155.5(2) . . . . ?
C20 C15 C21 C23 76.8(3) . . . . ?
C21 C15 C16 Ru1 -123.4(2) . . . . ?
C21 C15 C16 C17 -176.8(2) . . . . ?
C21 C15 C20 Ru1 123.5(2) . . . . ?
C21 C15 C20 C19 177.7(2) . . . . ?
C24 C18 C19 Ru1 -123.4(2) . . . . ?
C24 C18 C19 C20 -175.5(2) . . . . ?
Ru1B N1B C1B C2B -175.63(17) . . . . ?
Ru1B N1B C4B N2B -179.80(16) . . . . ?
Ru1B N1B C4B N4B 1.3(3) . . . . ?
Ru1B C15B C17B C16B 54.8(2) . . . . ?
Ru1B C15B C19B C20B -54.5(2) . . . . ?
Ru1B C15B C21B C22B 69.2(3) . . . . ?
Ru1B C15B C21B C23B -169.1(2) . . . . ?
Ru1B C16B C17B C15B -54.92(19) . . . . ?
Ru1B C16B C18B C20B 53.1(2) . . . . ?
Ru1B C16B C18B C24B -125.1(2) . . . . ?
Ru1B C18B C20B C19B 53.3(2) . . . . ?
Ru1B C19B C20B C18B -54.0(2) . . . . ?
O1B C8B C9B O2B -6.3(3) . . . . ?
O1B C8B C9B C10B 178.0(2) . . . . ?
O2B C9B C10B O3B 5.8(4) . . . . ?
O2B C9B C10B C11B -173.2(2) . . . . ?
O3B C10B C11B C6B -178.8(2) . . . . ?
N1B C1B C2B C3B -5.0(3) . . . . ?
N1B C1B C2B C5B -176.4(2) . . . . ?
C1B N1B C4B N2B 3.9(3) . . . . ?
C1B N1B C4B N4B -175.0(2) . . . . ?
C1B C2B C3B N2B 4.9(3) . . . . ?
C1B C2B C3B N3B -173.4(2) . . . . ?
C1B C2B C5B C6B -119.5(2) . . . . ?
C2B C5B C6B C7B 44.6(3) . . . . ?
C2B C5B C6B C11B -138.3(2) . . . . ?
C3B N2B C4B N1B -4.0(3) . . . . ?
C3B N2B C4B N4B 174.9(2) . . . . ?
C3B C2B C5B C6B 69.8(3) . . . . ?
C4B N1B C1B C2B 1.0(3) . . . . ?
C4B N2B C3B N3B 177.6(2) . . . . ?
C4B N2B C3B C2B -0.7(3) . . . . ?
C5B C2B C3B N2B 176.1(2) . . . . ?
C5B C2B C3B N3B -2.2(3) . . . . ?
C5B C6B C7B C8B 177.9(2) . . . . ?
C5B C6B C11B C10B -178.8(2) . . . . ?
C6B C7B C8B O1B -179.8(2) . . . . ?
C6B C7B C8B C9B 1.7(3) . . . . ?
C7B C6B C11B C10B -1.8(4) . . . . ?
C7B C8B C9B O2B 172.3(2) . . . . ?
C7B C8B C9B C10B -3.3(3) . . . . ?
C8B C9B C10B O3B -178.6(2) . . . . ?
C8B C9B C10B C11B 2.4(4) . . . . ?
C9B C10B C11B C6B 0.1(4) . . . . ?
C11B C6B C7B C8B 0.9(3) . . . . ?
C12B O1B C8B C7B 0.4(3) . . . . ?
C12B O1B C8B C9B 179.0(2) . . . . ?
C13B O2B C9B C8B 100.4(3) . . . . ?
C13B O2B C9B C10B -84.1(3) . . . . ?
C14B O3B C10B C9B 174.7(3) . . . . ?
C14B O3B C10B C11B -6.3(4) . . . . ?
C15B C19B C20B Ru1B 54.5(2) . . . . ?
C15B C19B C20B C18B 0.5(4) . . . . ?
C16B C18B C20B Ru1B -53.3(2) . . . . ?
C16B C18B C20B C19B 0.0(3) . . . . ?
C17B C15B C19B Ru1B 53.03(18) . . . . ?
C17B C15B C19B C20B -1.5(3) . . . . ?
C17B C15B C21B C22B -22.3(3) . . . . ?
C17B C15B C21B C23B 99.4(3) . . . . ?
C17B C16B C18B Ru1B -52.5(2) . . . . ?
C17B C16B C18B C20B 0.5(3) . . . . ?
C17B C16B C18B C24B -177.6(2) . . . . ?
C18B C16B C17B Ru1B 53.3(2) . . . . ?
C18B C16B C17B C15B -1.6(3) . . . . ?
C19B C15B C17B Ru1B -52.79(18) . . . . ?
C19B C15B C17B C16B 2.1(3) . . . . ?
C19B C15B C21B C22B 158.2(2) . . . . ?
C19B C15B C21B C23B -80.1(3) . . . . ?
C21B C15B C17B Ru1B 127.7(2) . . . . ?
C21B C15B C17B C16B -177.4(2) . . . . ?
C21B C15B C19B Ru1B -127.5(2) . . . . ?
C21B C15B C19B C20B 178.0(2) . . . . ?
C24B C18B C20B Ru1B 124.9(2) . . . . ?
C24B C18B C20B C19B 178.2(2) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
