# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 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_mono2bONMes
_database_code_depnum_ccdc_archive 'CCDC 1992914'
loop_
_audit_author_name
_audit_author_address
'SHUBHADEEP CHANDRA'
;UNIVERSITY OF STUTTGART
Germany
;
_audit_update_record             
;
2020-04-07 deposited with the CCDC.	2020-06-01 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2017/1
_shelx_SHELXL_version_number     2017/1
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C33.50 H33 Cl2 N5 O7 Ru'
_chemical_formula_weight         789.62

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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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, -z'

_cell_length_a                   11.800(5)
_cell_length_b                   12.969(5)
_cell_length_c                   24.229(10)
_cell_angle_alpha                89.705(16)
_cell_angle_beta                 76.042(11)
_cell_angle_gamma                79.798(12)
_cell_volume                     3539(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    101(2)
_cell_measurement_reflns_used    8734
_cell_measurement_theta_min      2.178
_cell_measurement_theta_max      25.448

_exptl_crystal_description       block
_exptl_crystal_colour            green
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.482
_exptl_crystal_F_000             1612
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.17
_exptl_absorpt_coefficient_mu    0.647
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.2642
_exptl_absorpt_correction_T_max  0.3179
_exptl_absorpt_process_details   
;
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10
Blessing, 1995
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      101(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker D8 Venture'
_diffrn_measurement_method       'omega + phi scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            71270
_diffrn_reflns_av_unetI/netI     0.1110
_diffrn_reflns_av_R_equivalents  0.1503
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_theta_min         2.178
_diffrn_reflns_theta_max         25.448
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             13010
_reflns_number_gt                8734
_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.
 
 Structure factors included contributions from the .fab file.
 
 _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       'APEX2 (Bruker, 2012)'
_computing_cell_refinement       'APEX2 (Bruker, 2012)'
_computing_data_reduction        'SAINT+ (Bruker, 2009)'
_computing_structure_solution    'SHELXT-2014/7 intrinsic phasing'
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_computing_molecular_graphics    'Diamond 3D, Version 4.0'
_computing_publication_material  shelxle
_refine_special_details          
;
The unit cell contains two electron density containing voids with a Volume of 101/102 Ang^3 and 6 electrons each,
which have been treated as a diffuse contribution to the overall scattering 
without specific atom positions by SQUEEZE/PLATON (A.L.Spek).
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0259P)²+10.1716P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         13010
_refine_ls_number_parameters     880
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.1129
_refine_ls_R_factor_gt           0.0637
_refine_ls_wR_factor_ref         0.1186
_refine_ls_wR_factor_gt          0.1050
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_restrained_S_all      1.049
_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 0.72345(4) 0.49727(3) 0.23588(2) 0.01238(12) Uani 1 1 d . . . . .
C1 C 0.6491(4) 0.4836(4) 0.3564(2) 0.0130(11) Uani 1 1 d . . . . .
N1 N 0.8054(4) 0.4346(3) 0.15549(17) 0.0160(10) Uani 1 1 d . . . . .
O1 O 0.6521(3) 0.5545(3) 0.31978(14) 0.0155(8) Uani 1 1 d . . . . .
C19 C 0.7168(5) 0.3830(4) 0.1368(2) 0.0175(12) Uani 1 1 d . . . . .
H19A H 0.719654 0.311706 0.151789 0.021 Uiso 1 1 calc R U . . .
H19B H 0.737351 0.376123 0.094688 0.021 Uiso 1 1 calc R U . . .
Cl1 Cl 0.80798(14) 0.10099(11) 0.08346(6) 0.0270(4) Uani 1 1 d . . . . .
N3 N 0.7433(4) 0.6328(3) 0.19734(18) 0.0157(10) Uani 1 1 d . . . . .
C3 C 0.6539(5) 0.2901(4) 0.3699(2) 0.0146(12) Uani 1 1 d . . . . .
H3 H 0.658895 0.221428 0.355022 0.018 Uiso 1 1 calc R U . . .
Cl3 Cl 0.3853(2) 0.23616(18) 0.25847(11) 0.0782(7) Uani 1 1 d . . . . .
C21 C 0.5027(5) 0.4399(4) 0.1315(2) 0.0217(13) Uani 1 1 d . . . . .
H21 H 0.517528 0.398018 0.097557 0.026 Uiso 1 1 calc R U . . .
O3 O 0.6275(3) 0.4240(3) 0.50364(15) 0.0198(9) Uani 1 1 d . . . . .
N4 N 0.8942(4) 0.4699(3) 0.24480(17) 0.0173(10) Uani 1 1 d . . . . .
C4 C 0.6343(5) 0.3082(4) 0.4277(2) 0.0160(12) Uani 1 1 d . . . . .
Cl4 Cl 0.57602(18) 0.08379(13) 0.28426(8) 0.0486(5) Uani 1 1 d . . . . .
C22 C 0.3901(5) 0.4957(4) 0.1548(2) 0.0257(14) Uani 1 1 d . . . . .
H22 H 0.327077 0.492177 0.137128 0.031 Uiso 1 1 calc R U . . .
N5 N 0.6215(4) 0.2340(3) 0.46598(19) 0.0213(11) Uani 1 1 d . . . . .
H5 H 0.604578 0.252257 0.502376 0.026 Uiso 1 1 calc R U . . .
C5 C 0.6309(4) 0.4168(4) 0.4521(2) 0.0144(12) Uani 1 1 d . . . . .
C23 C 0.3701(5) 0.5561(4) 0.2037(2) 0.0237(14) Uani 1 1 d . . . . .
H23 H 0.293838 0.596348 0.219927 0.028 Uiso 1 1 calc R U . . .
C9 C 0.8086(6) 0.7147(5) 0.1094(3) 0.0300(15) Uani 1 1 d . . . . .
H9 H 0.847692 0.708436 0.070065 0.036 Uiso 1 1 calc R U . . .
C8 C 0.7983(5) 0.6250(4) 0.1411(2) 0.0179(13) Uani 1 1 d . . . . .
C7 C 0.8474(5) 0.5181(4) 0.1160(2) 0.0232(14) Uani 1 1 d . . . . .
H7A H 0.935144 0.507208 0.106997 0.028 Uiso 1 1 calc R U . . .
H7AB H 0.823443 0.511003 0.079975 0.028 Uiso 1 1 calc R U . . .
C24 C 0.4631(5) 0.5573(4) 0.2288(2) 0.0185(13) Uani 1 1 d . . . . .
H24 H 0.448876 0.598933 0.262784 0.022 Uiso 1 1 calc R U . . .
C6 C 0.6328(5) 0.5009(4) 0.4146(2) 0.0140(12) Uani 1 1 d . . . . .
H6 H 0.622829 0.570462 0.429474 0.017 Uiso 1 1 calc R U . . .
Ru10 Ru 0.74592(4) 0.09715(3) 0.82007(2) 0.01505(12) Uani 1 1 d . . . . .
C10 C 0.7617(6) 0.8119(5) 0.1354(3) 0.0362(17) Uani 1 1 d . . . . .
H10 H 0.767651 0.873444 0.114283 0.043 Uiso 1 1 calc R U . . .
C11 C 0.7060(6) 0.8193(5) 0.1927(3) 0.0342(16) Uani 1 1 d . . . . .
H11 H 0.673285 0.885941 0.211332 0.041 Uiso 1 1 calc R U . . .
C12 C 0.6982(5) 0.7284(4) 0.2226(2) 0.0235(14) Uani 1 1 d . . . . .
H12 H 0.660128 0.733759 0.262066 0.028 Uiso 1 1 calc R U . . .
C13 C 0.9109(5) 0.3574(4) 0.1625(2) 0.0211(13) Uani 1 1 d . . . . .
H13A H 0.967995 0.339963 0.125103 0.025 Uiso 1 1 calc R U . . .
H13B H 0.885497 0.292011 0.177842 0.025 Uiso 1 1 calc R U . . .
C14 C 0.9699(5) 0.4039(4) 0.2028(2) 0.0194(13) Uani 1 1 d . . . . .
C15 C 1.0901(5) 0.3786(5) 0.1999(3) 0.0270(14) Uani 1 1 d . . . . .
H15 H 1.141467 0.333312 0.170072 0.032 Uiso 1 1 calc R U . . .
C16 C 1.1345(6) 0.4200(5) 0.2411(3) 0.0306(16) Uani 1 1 d . . . . .
H16 H 1.216681 0.402885 0.240139 0.037 Uiso 1 1 calc R U . . .
C18 C 0.9395(5) 0.5100(4) 0.2839(2) 0.0222(13) Uani 1 1 d . . . . .
H18 H 0.887803 0.556576 0.313059 0.027 Uiso 1 1 calc R U . . .
C17 C 1.0583(5) 0.4860(5) 0.2831(3) 0.0269(15) Uani 1 1 d . . . . .
H17 H 1.087236 0.515098 0.311733 0.032 Uiso 1 1 calc R U . . .
C26 C 0.5401(5) 0.0863(4) 0.4376(2) 0.0251(14) Uani 1 1 d . . . . .
C25 C 0.6343(5) 0.1250(4) 0.4498(2) 0.0211(14) Uani 1 1 d . . . . .
C29 C 0.6675(6) -0.0835(5) 0.4135(3) 0.0359(17) Uani 1 1 d . . . . .
C28 C 0.5590(6) -0.0195(4) 0.4204(3) 0.0297(15) Uani 1 1 d . . . . .
H28 H 0.494638 -0.047876 0.413457 0.036 Uiso 1 1 calc R U . . .
C27 C 0.4210(6) 0.1551(5) 0.4419(3) 0.0460(19) Uani 1 1 d . . . . .
H27A H 0.358697 0.112402 0.450711 0.069 Uiso 1 1 calc R U . . .
H27B H 0.420296 0.188604 0.405571 0.069 Uiso 1 1 calc R U . . .
H27C H 0.406431 0.209196 0.472140 0.069 Uiso 1 1 calc R U . . .
O2 O 0.6934(3) 0.3612(3) 0.27879(14) 0.0147(8) Uani 1 1 d . . . . .
C2 C 0.6666(5) 0.3734(4) 0.3331(2) 0.0135(12) Uani 1 1 d . . . . .
N2 N 0.5724(4) 0.5025(3) 0.20755(18) 0.0155(10) Uani 1 1 d . . . . .
Cl2 Cl 0.19500(13) 0.45253(12) 1.04624(6) 0.0269(3) Uani 1 1 d . . . . .
C20 C 0.5935(5) 0.4450(4) 0.1573(2) 0.0157(12) Uani 1 1 d . . . . .
N101 N 0.8615(4) 0.0990(3) 0.87140(18) 0.0197(11) Uani 1 1 d . . . . .
C101 C 0.6621(5) 0.1506(4) 0.7199(2) 0.0167(12) Uani 1 1 d . . . . .
O57 O 0.7220(5) 0.0831(4) 0.1331(2) 0.0610(16) Uani 1 1 d . . . . .
O56 O 0.8944(4) 0.1519(3) 0.0999(2) 0.0564(15) Uani 1 1 d . . . . .
O55 O 0.7515(4) 0.1665(3) 0.04646(18) 0.0369(11) Uani 1 1 d . . . . .
O101 O 0.6350(3) 0.0971(3) 0.76450(14) 0.0174(8) Uani 1 1 d . . . . .
C54 C 0.5389(6) 0.1907(5) 0.2422(3) 0.0392(17) Uani 1 1 d . . . . .
H54A H 0.579377 0.248379 0.249000 0.047 Uiso 1 1 calc R U . . .
H54B H 0.567134 0.168533 0.201449 0.047 Uiso 1 1 calc R U . . .
O54 O 0.8676(4) 0.0031(3) 0.05527(17) 0.0311(10) Uani 1 1 d . . . . .
O53 O 0.1391(4) 0.5335(3) 1.08948(17) 0.0338(11) Uani 1 1 d . . . . .
O52 O 0.1084(4) 0.4000(4) 1.03260(18) 0.0470(13) Uani 1 1 d . . . . .
O51 O 0.2810(4) 0.3782(3) 1.06699(18) 0.0445(12) Uani 1 1 d . . . . .
O50 O 0.2569(4) 0.4979(3) 0.99573(16) 0.0295(10) Uani 1 1 d . . . . .
C33 C 0.8445(7) 0.1039(6) 0.4600(5) 0.078(3) Uani 1 1 d . U . . .
H33A H 0.911379 0.046679 0.459320 0.117 Uiso 1 1 calc R U . . .
H33B H 0.817316 0.138053 0.498083 0.117 Uiso 1 1 calc R U . . .
H33C H 0.869984 0.155278 0.432058 0.117 Uiso 1 1 calc R U . . .
C32 C 0.7436(6) 0.0603(5) 0.4454(3) 0.0405(18) Uani 1 1 d . . . . .
C31 C 0.7578(7) -0.0416(5) 0.4270(3) 0.052(2) Uani 1 1 d . . . . .
H31 H 0.832923 -0.085574 0.423256 0.062 Uiso 1 1 calc R U . . .
C30 C 0.6884(7) -0.1968(5) 0.3926(4) 0.057(2) Uani 1 1 d . . . . .
H30A H 0.716885 -0.242561 0.420546 0.085 Uiso 1 1 calc R U . . .
H30B H 0.747914 -0.206974 0.356110 0.085 Uiso 1 1 calc R U . . .
H30C H 0.613838 -0.214045 0.387551 0.085 Uiso 1 1 calc R U . . .
C102 C 0.7607(5) 0.2107(4) 0.7184(2) 0.0134(12) Uani 1 1 d . . . . .
O102 O 0.8090(3) 0.2012(3) 0.76012(14) 0.0161(8) Uani 1 1 d . . . . .
N102 N 0.8787(4) -0.0170(4) 0.77621(19) 0.0262(12) Uani 1 1 d . . . . .
C120 C 0.9832(6) -0.0138(5) 0.7900(3) 0.0313(16) Uani 1 1 d . . . . .
N103 N 0.6808(4) -0.0036(3) 0.87782(18) 0.0193(11) Uani 1 1 d . . . . .
C103 C 0.7925(5) 0.2765(4) 0.6732(2) 0.0157(12) Uani 1 1 d . . . . .
H103 H 0.853541 0.315724 0.672548 0.019 Uiso 1 1 calc R U . . .
O103 O 0.6009(4) 0.2234(3) 0.58521(16) 0.0287(10) Uani 1 1 d . . . . .
C121 C 1.0843(7) -0.0869(6) 0.7662(3) 0.049(2) Uani 1 1 d . . . . .
H121 H 1.157049 -0.085364 0.776197 0.059 Uiso 1 1 calc R U . . .
N104 N 0.6430(4) 0.2146(3) 0.87602(18) 0.0156(10) Uani 1 1 d . . . . .
C104 C 0.7349(5) 0.2841(4) 0.6299(2) 0.0174(12) Uani 1 1 d . . . . .
C122 C 1.0769(7) -0.1616(6) 0.7276(3) 0.057(2) Uani 1 1 d . . . . .
H122 H 1.145258 -0.211829 0.710371 0.068 Uiso 1 1 calc R U . . .
N105 N 0.7543(4) 0.3496(3) 0.58714(18) 0.0174(10) Uani 1 1 d . . . . .
H105 H 0.717679 0.346601 0.559723 0.021 Uiso 1 1 calc R U . . .
C105 C 0.6419(5) 0.2175(4) 0.6280(2) 0.0198(13) Uani 1 1 d . . . . .
C123 C 0.9702(7) -0.1636(5) 0.7138(3) 0.049(2) Uani 1 1 d . . . . .
H123 H 0.964578 -0.215452 0.687558 0.059 Uiso 1 1 calc R U . . .
C107 C 0.8479(5) 0.0166(5) 0.9152(2) 0.0258(14) Uani 1 1 d . . . . .
H10A H 0.916413 -0.041967 0.904383 0.031 Uiso 1 1 calc R U . . .
H10B H 0.848677 0.046872 0.952457 0.031 Uiso 1 1 calc R U . . .
C124 C 0.8722(6) -0.0898(4) 0.7386(3) 0.0347(17) Uani 1 1 d . . . . .
H124 H 0.798973 -0.090485 0.728851 0.042 Uiso 1 1 calc R U . . .
C106 C 0.6067(5) 0.1570(4) 0.6754(2) 0.0186(13) Uani 1 1 d . . . . .
H106 H 0.543562 0.119874 0.676914 0.022 Uiso 1 1 calc R U . . .
C133 C 1.0109(5) 0.2770(4) 0.5530(2) 0.0271(14) Uani 1 1 d . . . . .
H13C H 0.958987 0.242859 0.535942 0.041 Uiso 1 1 calc R U . . .
H13D H 1.021889 0.241503 0.587600 0.041 Uiso 1 1 calc R U . . .
H13E H 1.088127 0.272791 0.525769 0.041 Uiso 1 1 calc R U . . .
C132 C 0.9551(5) 0.3903(4) 0.5676(2) 0.0164(12) Uani 1 1 d . . . . .
C131 C 1.0266(5) 0.4663(4) 0.5657(2) 0.0178(12) Uani 1 1 d . . . . .
H131 H 1.110471 0.445064 0.555336 0.021 Uiso 1 1 calc R U . . .
C130 C 1.0587(5) 0.6495(4) 0.5775(2) 0.0252(14) Uani 1 1 d . . . . .
H13F H 1.011427 0.720427 0.581131 0.038 Uiso 1 1 calc R U . . .
H13G H 1.119714 0.641292 0.541524 0.038 Uiso 1 1 calc R U . . .
H13H H 1.096728 0.638176 0.609313 0.038 Uiso 1 1 calc R U . . .
C129 C 0.9794(5) 0.5709(4) 0.5782(2) 0.0159(12) Uani 1 1 d . . . . .
C128 C 0.8565(5) 0.6012(4) 0.5931(2) 0.0160(12) Uani 1 1 d . . . . .
H128 H 0.823138 0.673308 0.601085 0.019 Uiso 1 1 calc R U . . .
C127 C 0.6476(5) 0.5634(4) 0.6144(3) 0.0246(14) Uani 1 1 d . . . . .
H12A H 0.614194 0.519907 0.645111 0.037 Uiso 1 1 calc R U . . .
H12B H 0.613664 0.555761 0.581859 0.037 Uiso 1 1 calc R U . . .
H12C H 0.628680 0.637024 0.627916 0.037 Uiso 1 1 calc R U . . .
C126 C 0.7807(5) 0.5289(4) 0.5965(2) 0.0165(12) Uani 1 1 d . . . . .
C125 C 0.8314(5) 0.4241(4) 0.5837(2) 0.0146(12) Uani 1 1 d . . . . .
C118 C 0.5261(5) 0.2514(4) 0.8844(2) 0.0188(13) Uani 1 1 d . . . . .
H118 H 0.484340 0.228230 0.859309 0.023 Uiso 1 1 calc R U . . .
C117 C 0.4652(5) 0.3215(4) 0.9284(2) 0.0233(14) Uani 1 1 d . . . . .
H117 H 0.382668 0.346937 0.933457 0.028 Uiso 1 1 calc R U . . .
C116 C 0.5253(5) 0.3545(4) 0.9651(2) 0.0251(14) Uani 1 1 d . . . . .
H116 H 0.484636 0.403159 0.995640 0.030 Uiso 1 1 calc R U . . .
C115 C 0.6450(6) 0.3163(4) 0.9572(2) 0.0267(15) Uani 1 1 d . . . . .
H115 H 0.687456 0.337322 0.982587 0.032 Uiso 1 1 calc R U . . .
C114 C 0.7024(5) 0.2472(4) 0.9120(2) 0.0189(13) Uani 1 1 d . . . . .
C113 C 0.8352(5) 0.2071(4) 0.8970(3) 0.0284(15) Uani 1 1 d . . . . .
H11A H 0.875602 0.253861 0.869666 0.034 Uiso 1 1 calc R U . . .
H11B H 0.865444 0.207052 0.931703 0.034 Uiso 1 1 calc R U . . .
C119 C 0.9821(5) 0.0728(5) 0.8305(3) 0.0299(15) Uani 1 1 d . . . . .
H11C H 1.000398 0.135517 0.809073 0.036 Uiso 1 1 calc R U . . .
H11D H 1.043576 0.051192 0.851802 0.036 Uiso 1 1 calc R U . . .
C112 C 0.5801(6) -0.0409(5) 0.8799(3) 0.0302(15) Uani 1 1 d . . . . .
H112 H 0.540884 -0.025242 0.850065 0.036 Uiso 1 1 calc R U . . .
C111 C 0.5324(7) -0.1002(5) 0.9231(3) 0.046(2) Uani 1 1 d . . . . .
H111 H 0.461586 -0.125489 0.923192 0.056 Uiso 1 1 calc R U . . .
C110 C 0.5886(7) -0.1227(6) 0.9666(3) 0.060(2) Uani 1 1 d . . . . .
H110 H 0.557258 -0.164637 0.996762 0.072 Uiso 1 1 calc R U . . .
C109 C 0.6916(7) -0.0839(5) 0.9662(3) 0.0436(19) Uani 1 1 d . . . . .
H109 H 0.730450 -0.097376 0.996240 0.052 Uiso 1 1 calc R U . . .
C108 C 0.7360(5) -0.0250(4) 0.9207(2) 0.0255(14) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru1 N3 2.010(4) . ?
Ru1 N4 2.047(5) . ?
Ru1 N2 2.049(4) . ?
Ru1 N1 2.054(4) . ?
Ru1 O2 2.085(3) . ?
Ru1 O1 2.088(3) . ?
C1 O1 1.274(6) . ?
C1 C6 1.390(7) . ?
C1 C2 1.501(7) . ?
N1 C19 1.492(7) . ?
N1 C13 1.497(7) . ?
N1 C7 1.511(7) . ?
C19 C20 1.500(7) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
Cl1 O57 1.421(5) . ?
Cl1 O54 1.426(4) . ?
Cl1 O55 1.432(4) . ?
Cl1 O56 1.439(5) . ?
N3 C12 1.346(7) . ?
N3 C8 1.357(7) . ?
C3 C4 1.377(7) . ?
C3 C2 1.402(7) . ?
C3 H3 0.9500 . ?
Cl3 C54 1.752(7) . ?
C21 C20 1.376(7) . ?
C21 C22 1.382(8) . ?
C21 H21 0.9500 . ?
O3 C5 1.243(6) . ?
N4 C18 1.342(7) . ?
N4 C14 1.365(7) . ?
C4 N5 1.336(6) . ?
C4 C5 1.521(7) . ?
Cl4 C54 1.772(6) . ?
C22 C23 1.373(8) . ?
C22 H22 0.9500 . ?
N5 C25 1.441(7) . ?
N5 H5 0.8800 . ?
C5 C6 1.416(7) . ?
C23 C24 1.379(8) . ?
C23 H23 0.9500 . ?
C9 C10 1.374(8) . ?
C9 C8 1.397(7) . ?
C9 H9 0.9500 . ?
C8 C7 1.477(8) . ?
C7 H7A 0.9900 . ?
C7 H7AB 0.9900 . ?
C24 N2 1.340(7) . ?
C24 H24 0.9500 . ?
C6 H6 0.9500 . ?
Ru10 N103 2.019(4) . ?
Ru10 N102 2.042(5) . ?
Ru10 N104 2.050(4) . ?
Ru10 N101 2.059(4) . ?
Ru10 O102 2.074(4) . ?
Ru10 O101 2.092(4) . ?
C10 C11 1.379(9) . ?
C10 H10 0.9500 . ?
C11 C12 1.386(8) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C13 C14 1.512(7) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 C15 1.382(8) . ?
C15 C16 1.384(8) . ?
C15 H15 0.9500 . ?
C16 C17 1.369(9) . ?
C16 H16 0.9500 . ?
C18 C17 1.377(8) . ?
C18 H18 0.9500 . ?
C17 H17 0.9500 . ?
C26 C25 1.389(8) . ?
C26 C28 1.400(8) . ?
C26 C27 1.506(9) . ?
C25 C32 1.390(8) . ?
C29 C28 1.370(9) . ?
C29 C31 1.383(9) . ?
C29 C30 1.515(8) . ?
C28 H28 0.9500 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
O2 C2 1.282(6) . ?
N2 C20 1.376(6) . ?
Cl2 O52 1.425(4) . ?
Cl2 O53 1.438(4) . ?
Cl2 O50 1.446(4) . ?
Cl2 O51 1.451(5) . ?
N101 C113 1.485(7) . ?
N101 C107 1.503(7) . ?
N101 C119 1.508(7) . ?
C101 O101 1.286(6) . ?
C101 C106 1.384(7) . ?
C101 C102 1.504(7) . ?
C54 H54A 0.9900 . ?
C54 H54B 0.9900 . ?
C33 C32 1.519(9) . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C32 C31 1.366(8) . ?
C31 H31 0.9500 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C102 O102 1.270(6) . ?
C102 C103 1.405(7) . ?
N102 C124 1.342(7) . ?
N102 C120 1.360(8) . ?
C120 C121 1.389(9) . ?
C120 C119 1.491(9) . ?
N103 C112 1.350(7) . ?
N103 C108 1.357(7) . ?
C103 C104 1.375(7) . ?
C103 H103 0.9500 . ?
O103 C105 1.243(6) . ?
C121 C122 1.379(11) . ?
C121 H121 0.9500 . ?
N104 C118 1.343(7) . ?
N104 C114 1.354(7) . ?
C104 N105 1.339(6) . ?
C104 C105 1.521(7) . ?
C122 C123 1.383(11) . ?
C122 H122 0.9500 . ?
N105 C125 1.430(6) . ?
N105 H105 0.8800 . ?
C105 C106 1.408(7) . ?
C123 C124 1.375(9) . ?
C123 H123 0.9500 . ?
C107 C108 1.489(8) . ?
C107 H10A 0.9900 . ?
C107 H10B 0.9900 . ?
C124 H124 0.9500 . ?
C106 H106 0.9500 . ?
C133 C132 1.506(7) . ?
C133 H13C 0.9800 . ?
C133 H13D 0.9800 . ?
C133 H13E 0.9800 . ?
C132 C131 1.401(7) . ?
C132 C125 1.406(8) . ?
C131 C129 1.378(7) . ?
C131 H131 0.9500 . ?
C130 C129 1.497(7) . ?
C130 H13F 0.9800 . ?
C130 H13G 0.9800 . ?
C130 H13H 0.9800 . ?
C129 C128 1.391(7) . ?
C128 C126 1.395(7) . ?
C128 H128 0.9500 . ?
C127 C126 1.509(8) . ?
C127 H12A 0.9800 . ?
C127 H12B 0.9800 . ?
C127 H12C 0.9800 . ?
C126 C125 1.388(7) . ?
C118 C117 1.375(7) . ?
C118 H118 0.9500 . ?
C117 C116 1.374(8) . ?
C117 H117 0.9500 . ?
C116 C115 1.379(8) . ?
C116 H116 0.9500 . ?
C115 C114 1.378(8) . ?
C115 H115 0.9500 . ?
C114 C113 1.515(8) . ?
C113 H11A 0.9900 . ?
C113 H11B 0.9900 . ?
C119 H11C 0.9900 . ?
C119 H11D 0.9900 . ?
C112 C111 1.366(8) . ?
C112 H112 0.9500 . ?
C111 C110 1.379(10) . ?
C111 H111 0.9500 . ?
C110 C109 1.394(10) . ?
C110 H110 0.9500 . ?
C109 C108 1.388(8) . ?
C109 H109 0.9500 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N3 Ru1 N4 92.52(17) . . ?
N3 Ru1 N2 87.97(17) . . ?
N4 Ru1 N2 165.07(17) . . ?
N3 Ru1 N1 82.47(17) . . ?
N4 Ru1 N1 82.18(17) . . ?
N2 Ru1 N1 83.09(17) . . ?
N3 Ru1 O2 176.65(16) . . ?
N4 Ru1 O2 89.81(15) . . ?
N2 Ru1 O2 90.40(15) . . ?
N1 Ru1 O2 100.25(15) . . ?
N3 Ru1 O1 99.62(15) . . ?
N4 Ru1 O1 93.50(15) . . ?
N2 Ru1 O1 101.13(16) . . ?
N1 Ru1 O1 175.31(15) . . ?
O2 Ru1 O1 77.82(13) . . ?
O1 C1 C6 125.3(5) . . ?
O1 C1 C2 115.6(4) . . ?
C6 C1 C2 119.1(4) . . ?
C19 N1 C13 112.4(4) . . ?
C19 N1 C7 113.0(4) . . ?
C13 N1 C7 109.1(4) . . ?
C19 N1 Ru1 106.0(3) . . ?
C13 N1 Ru1 105.1(3) . . ?
C7 N1 Ru1 111.0(3) . . ?
C1 O1 Ru1 114.0(3) . . ?
N1 C19 C20 111.2(4) . . ?
N1 C19 H19A 109.4 . . ?
C20 C19 H19A 109.4 . . ?
N1 C19 H19B 109.4 . . ?
C20 C19 H19B 109.4 . . ?
H19A C19 H19B 108.0 . . ?
O57 Cl1 O54 109.5(3) . . ?
O57 Cl1 O55 109.9(3) . . ?
O54 Cl1 O55 110.6(3) . . ?
O57 Cl1 O56 109.1(3) . . ?
O54 Cl1 O56 108.3(3) . . ?
O55 Cl1 O56 109.4(3) . . ?
C12 N3 C8 119.2(5) . . ?
C12 N3 Ru1 124.2(4) . . ?
C8 N3 Ru1 116.3(3) . . ?
C4 C3 C2 119.8(5) . . ?
C4 C3 H3 120.1 . . ?
C2 C3 H3 120.1 . . ?
C20 C21 C22 120.1(5) . . ?
C20 C21 H21 120.0 . . ?
C22 C21 H21 120.0 . . ?
C18 N4 C14 118.2(5) . . ?
C18 N4 Ru1 129.2(4) . . ?
C14 N4 Ru1 112.6(3) . . ?
N5 C4 C3 124.1(5) . . ?
N5 C4 C5 115.0(5) . . ?
C3 C4 C5 120.8(5) . . ?
C23 C22 C21 119.3(5) . . ?
C23 C22 H22 120.4 . . ?
C21 C22 H22 120.4 . . ?
C4 N5 C25 122.3(5) . . ?
C4 N5 H5 118.8 . . ?
C25 N5 H5 118.8 . . ?
O3 C5 C6 125.4(5) . . ?
O3 C5 C4 116.8(5) . . ?
C6 C5 C4 117.8(4) . . ?
C22 C23 C24 118.7(6) . . ?
C22 C23 H23 120.6 . . ?
C24 C23 H23 120.6 . . ?
C10 C9 C8 119.6(6) . . ?
C10 C9 H9 120.2 . . ?
C8 C9 H9 120.2 . . ?
N3 C8 C9 120.8(5) . . ?
N3 C8 C7 116.6(4) . . ?
C9 C8 C7 122.5(5) . . ?
C8 C7 N1 112.3(4) . . ?
C8 C7 H7A 109.1 . . ?
N1 C7 H7A 109.1 . . ?
C8 C7 H7AB 109.1 . . ?
N1 C7 H7AB 109.1 . . ?
H7A C7 H7AB 107.9 . . ?
N2 C24 C23 123.0(5) . . ?
N2 C24 H24 118.5 . . ?
C23 C24 H24 118.5 . . ?
C1 C6 C5 121.2(5) . . ?
C1 C6 H6 119.4 . . ?
C5 C6 H6 119.4 . . ?
N103 Ru10 N102 92.71(18) . . ?
N103 Ru10 N104 86.49(17) . . ?
N102 Ru10 N104 165.47(19) . . ?
N103 Ru10 N101 82.21(18) . . ?
N102 Ru10 N101 82.61(19) . . ?
N104 Ru10 N101 82.91(18) . . ?
N103 Ru10 O102 178.62(17) . . ?
N102 Ru10 O102 87.89(16) . . ?
N104 Ru10 O102 93.23(15) . . ?
N101 Ru10 O102 99.10(15) . . ?
N103 Ru10 O101 100.35(16) . . ?
N102 Ru10 O101 95.91(17) . . ?
N104 Ru10 O101 98.50(16) . . ?
N101 Ru10 O101 177.12(16) . . ?
O102 Ru10 O101 78.35(13) . . ?
C9 C10 C11 119.3(6) . . ?
C9 C10 H10 120.4 . . ?
C11 C10 H10 120.4 . . ?
C10 C11 C12 119.3(6) . . ?
C10 C11 H11 120.3 . . ?
C12 C11 H11 120.3 . . ?
N3 C12 C11 121.8(6) . . ?
N3 C12 H12 119.1 . . ?
C11 C12 H12 119.1 . . ?
N1 C13 C14 109.5(4) . . ?
N1 C13 H13A 109.8 . . ?
C14 C13 H13A 109.8 . . ?
N1 C13 H13B 109.8 . . ?
C14 C13 H13B 109.8 . . ?
H13A C13 H13B 108.2 . . ?
N4 C14 C15 121.7(5) . . ?
N4 C14 C13 114.8(5) . . ?
C15 C14 C13 123.4(5) . . ?
C14 C15 C16 119.2(6) . . ?
C14 C15 H15 120.4 . . ?
C16 C15 H15 120.4 . . ?
C17 C16 C15 118.9(6) . . ?
C17 C16 H16 120.5 . . ?
C15 C16 H16 120.5 . . ?
N4 C18 C17 122.2(6) . . ?
N4 C18 H18 118.9 . . ?
C17 C18 H18 118.9 . . ?
C16 C17 C18 119.8(6) . . ?
C16 C17 H17 120.1 . . ?
C18 C17 H17 120.1 . . ?
C25 C26 C28 117.9(6) . . ?
C25 C26 C27 121.8(5) . . ?
C28 C26 C27 120.2(5) . . ?
C26 C25 C32 121.0(5) . . ?
C26 C25 N5 120.6(5) . . ?
C32 C25 N5 118.4(5) . . ?
C28 C29 C31 117.7(6) . . ?
C28 C29 C30 121.6(6) . . ?
C31 C29 C30 120.7(6) . . ?
C29 C28 C26 122.0(6) . . ?
C29 C28 H28 119.0 . . ?
C26 C28 H28 119.0 . . ?
C26 C27 H27A 109.5 . . ?
C26 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C26 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C2 O2 Ru1 114.1(3) . . ?
O2 C2 C3 123.3(5) . . ?
O2 C2 C1 116.2(4) . . ?
C3 C2 C1 120.6(5) . . ?
C24 N2 C20 118.3(5) . . ?
C24 N2 Ru1 129.4(4) . . ?
C20 N2 Ru1 112.1(3) . . ?
O52 Cl2 O53 110.3(3) . . ?
O52 Cl2 O50 109.6(3) . . ?
O53 Cl2 O50 109.8(3) . . ?
O52 Cl2 O51 109.7(3) . . ?
O53 Cl2 O51 109.0(3) . . ?
O50 Cl2 O51 108.4(3) . . ?
C21 C20 N2 120.6(5) . . ?
C21 C20 C19 123.7(5) . . ?
N2 C20 C19 115.5(4) . . ?
C113 N101 C107 113.0(4) . . ?
C113 N101 C119 113.2(5) . . ?
C107 N101 C119 109.9(4) . . ?
C113 N101 Ru10 105.9(3) . . ?
C107 N101 Ru10 111.0(3) . . ?
C119 N101 Ru10 103.4(3) . . ?
O101 C101 C106 125.0(5) . . ?
O101 C101 C102 115.4(4) . . ?
C106 C101 C102 119.7(5) . . ?
C101 O101 Ru10 114.3(3) . . ?
Cl3 C54 Cl4 111.2(4) . . ?
Cl3 C54 H54A 109.4 . . ?
Cl4 C54 H54A 109.4 . . ?
Cl3 C54 H54B 109.4 . . ?
Cl4 C54 H54B 109.4 . . ?
H54A C54 H54B 108.0 . . ?
C32 C33 H33A 109.5 . . ?
C32 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C32 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C31 C32 C25 118.4(6) . . ?
C31 C32 C33 121.6(6) . . ?
C25 C32 C33 120.0(5) . . ?
C32 C31 C29 122.9(7) . . ?
C32 C31 H31 118.6 . . ?
C29 C31 H31 118.6 . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
O102 C102 C103 123.1(5) . . ?
O102 C102 C101 116.9(4) . . ?
C103 C102 C101 119.9(5) . . ?
C102 O102 Ru10 114.7(3) . . ?
C124 N102 C120 120.5(5) . . ?
C124 N102 Ru10 128.2(4) . . ?
C120 N102 Ru10 111.4(4) . . ?
N102 C120 C121 120.7(6) . . ?
N102 C120 C119 116.2(5) . . ?
C121 C120 C119 123.1(6) . . ?
C112 N103 C108 118.7(5) . . ?
C112 N103 Ru10 124.4(4) . . ?
C108 N103 Ru10 116.5(4) . . ?
C104 C103 C102 119.9(5) . . ?
C104 C103 H103 120.1 . . ?
C102 C103 H103 120.1 . . ?
C122 C121 C120 118.5(7) . . ?
C122 C121 H121 120.7 . . ?
C120 C121 H121 120.7 . . ?
C118 N104 C114 119.1(5) . . ?
C118 N104 Ru10 128.0(4) . . ?
C114 N104 Ru10 112.4(4) . . ?
N105 C104 C103 123.8(5) . . ?
N105 C104 C105 115.0(4) . . ?
C103 C104 C105 121.2(5) . . ?
C121 C122 C123 120.1(7) . . ?
C121 C122 H122 120.0 . . ?
C123 C122 H122 120.0 . . ?
C104 N105 C125 123.4(4) . . ?
C104 N105 H105 118.3 . . ?
C125 N105 H105 118.3 . . ?
O103 C105 C106 125.4(5) . . ?
O103 C105 C104 116.9(5) . . ?
C106 C105 C104 117.7(5) . . ?
C124 C123 C122 119.4(7) . . ?
C124 C123 H123 120.3 . . ?
C122 C123 H123 120.3 . . ?
C108 C107 N101 112.3(4) . . ?
C108 C107 H10A 109.1 . . ?
N101 C107 H10A 109.1 . . ?
C108 C107 H10B 109.1 . . ?
N101 C107 H10B 109.1 . . ?
H10A C107 H10B 107.9 . . ?
N102 C124 C123 120.8(7) . . ?
N102 C124 H124 119.6 . . ?
C123 C124 H124 119.6 . . ?
C101 C106 C105 121.4(5) . . ?
C101 C106 H106 119.3 . . ?
C105 C106 H106 119.3 . . ?
C132 C133 H13C 109.5 . . ?
C132 C133 H13D 109.5 . . ?
H13C C133 H13D 109.5 . . ?
C132 C133 H13E 109.5 . . ?
H13C C133 H13E 109.5 . . ?
H13D C133 H13E 109.5 . . ?
C131 C132 C125 117.5(5) . . ?
C131 C132 C133 120.3(5) . . ?
C125 C132 C133 122.3(5) . . ?
C129 C131 C132 122.2(5) . . ?
C129 C131 H131 118.9 . . ?
C132 C131 H131 118.9 . . ?
C129 C130 H13F 109.5 . . ?
C129 C130 H13G 109.5 . . ?
H13F C130 H13G 109.5 . . ?
C129 C130 H13H 109.5 . . ?
H13F C130 H13H 109.5 . . ?
H13G C130 H13H 109.5 . . ?
C131 C129 C128 118.4(5) . . ?
C131 C129 C130 120.7(5) . . ?
C128 C129 C130 120.9(5) . . ?
C129 C128 C126 122.1(5) . . ?
C129 C128 H128 119.0 . . ?
C126 C128 H128 119.0 . . ?
C126 C127 H12A 109.5 . . ?
C126 C127 H12B 109.5 . . ?
H12A C127 H12B 109.5 . . ?
C126 C127 H12C 109.5 . . ?
H12A C127 H12C 109.5 . . ?
H12B C127 H12C 109.5 . . ?
C125 C126 C128 117.9(5) . . ?
C125 C126 C127 121.1(5) . . ?
C128 C126 C127 121.0(5) . . ?
C126 C125 C132 121.9(5) . . ?
C126 C125 N105 118.3(5) . . ?
C132 C125 N105 119.8(5) . . ?
N104 C118 C117 121.8(5) . . ?
N104 C118 H118 119.1 . . ?
C117 C118 H118 119.1 . . ?
C116 C117 C118 119.2(6) . . ?
C116 C117 H117 120.4 . . ?
C118 C117 H117 120.4 . . ?
C117 C116 C115 119.4(5) . . ?
C117 C116 H116 120.3 . . ?
C115 C116 H116 120.3 . . ?
C114 C115 C116 119.2(5) . . ?
C114 C115 H115 120.4 . . ?
C116 C115 H115 120.4 . . ?
N104 C114 C115 121.3(5) . . ?
N104 C114 C113 115.4(5) . . ?
C115 C114 C113 123.3(5) . . ?
N101 C113 C114 109.9(5) . . ?
N101 C113 H11A 109.7 . . ?
C114 C113 H11A 109.7 . . ?
N101 C113 H11B 109.7 . . ?
C114 C113 H11B 109.7 . . ?
H11A C113 H11B 108.2 . . ?
C120 C119 N101 109.7(5) . . ?
C120 C119 H11C 109.7 . . ?
N101 C119 H11C 109.7 . . ?
C120 C119 H11D 109.7 . . ?
N101 C119 H11D 109.7 . . ?
H11C C119 H11D 108.2 . . ?
N103 C112 C111 122.5(6) . . ?
N103 C112 H112 118.7 . . ?
C111 C112 H112 118.7 . . ?
C112 C111 C110 119.0(7) . . ?
C112 C111 H111 120.5 . . ?
C110 C111 H111 120.5 . . ?
C111 C110 C109 119.7(7) . . ?
C111 C110 H110 120.1 . . ?
C109 C110 H110 120.1 . . ?
C108 C109 C110 118.3(6) . . ?
C108 C109 H109 120.8 . . ?
C110 C109 H109 120.8 . . ?
N103 C108 C109 121.6(6) . . ?
N103 C108 C107 115.9(5) . . ?
C109 C108 C107 122.5(5) . . ?

_refine_diff_density_max         0.759
_refine_diff_density_min         -0.878
_refine_diff_density_rms         0.117



