# Electronic Supplementary Material (ESI) for Dalton Transactions
# This journal is © The Royal Society of Chemistry 2012


#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication 
#  deposited with the CCDC, and may include chemical, crystal,   
#  experimental, refinement, atomic coordinates, 
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted. 
# 
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material 
#  of the CCDC or of third parties, and may not be copied or further 
#  disseminated in any form, whether machine-readable or not,  
#  except for the purpose of generating routine backup copies 
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and 
#  data retrieval see:
#                         www.ccdc.cam.ac.uk 
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively. 
#
####################################################################### 

data_job
_database_code_depnum_ccdc_archive 'CCDC 891360'
#TrackingRef '- complex 3a - LB477_150K_APEX_29nov11_archive.cif'


_audit_creation_date             2011-11-29T09:12:50-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.4
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic

#----------------------------------------------------------------------------#
# CHEMICAL INFORMATION #
#----------------------------------------------------------------------------#

_chemical_name_systematic        
;
?
;
_chemical_formula_moiety         'C24 H26 Cl N Ru'
_chemical_formula_sum            'C24 H26 Cl N Ru'
_chemical_formula_weight         464.98
_chemical_compound_source        'synthesis as described'

#----------------------------------------------------------------------------#
# UNIT CELL INFORMATION #
#----------------------------------------------------------------------------#

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 21/n'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_Int_Tables_number      14
loop_
_symmetry_equiv_pos_as_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                   10.9423(3)
_cell_length_b                   8.1961(2)
_cell_length_c                   23.3753(7)
_cell_angle_alpha                90
_cell_angle_beta                 102.0690(10)
_cell_angle_gamma                90
_cell_volume                     2050.06(10)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9144
_cell_measurement_theta_min      2.64
_cell_measurement_theta_max      27.5
_cell_measurement_wavelength     0.71073

#----------------------------------------------------------------------------#
# CRYSTAL INFORMATION #
#----------------------------------------------------------------------------#

_exptl_crystal_description       prism
_exptl_crystal_colour            orange
_exptl_crystal_size_max          0.58
_exptl_crystal_size_mid          0.29
_exptl_crystal_size_min          0.17
_exptl_crystal_density_diffrn    1.507
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             952
_exptl_special_details           
;
?
;

#----------------------------------------------------------------------------#
# ABSORPTION CORRECTION #
#----------------------------------------------------------------------------#

_exptl_absorpt_coefficient_mu    0.903
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
[Sheldrick, G.M. (2002). SADABS Bruker AXS Inc., Madison, Wisconsin, USA]
;
_exptl_absorpt_correction_T_min  0.704
_exptl_absorpt_correction_T_max  0.858


#----------------------------------------------------------------------------#
# DATA COLLECTION #
#----------------------------------------------------------------------------#

_diffrn_measurement_device_type  'APEXII, Bruker-AXS'
_diffrn_measurement_method       'CCD rotation images, thin slices'
_diffrn_detector                 'CCD plate'
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_reflns_av_R_equivalents  0.0304
_diffrn_reflns_av_unetI/netI     0.0321
_diffrn_reflns_number            15025
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_theta_min         3.13
_diffrn_reflns_theta_max         27.47
_diffrn_reflns_theta_full        27.47
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_reflns_number_total             4670
_reflns_number_gt                4270
_reflns_threshold_expression     >2sigma(I)

#----------------------------------------------------------------------------#
# COMPUTER PROGRAMS USED #
#----------------------------------------------------------------------------#

_computing_data_collection       'Bruker APEX2 (Bruker, 2006)'
_computing_cell_refinement       'Bruker APEX2 (Bruker, 2006)'
_computing_data_reduction        'Bruker APEX2 (Bruker, 2006)'
_computing_structure_solution    'SIR97 (Altomare et al., 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  
;
WinGX publication routines (Farrugia, 1999),
CRYSCAL (T. Roisnel, local program)
;

#----------------------------------------------------------------------------#
# REFINEMENT INFORMATION #
#----------------------------------------------------------------------------#

_refine_special_details          
;
Refinement of F^2^ against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F^2^ are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0210P)^2^+1.1522P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_number_reflns         4670
_refine_ls_number_parameters     248
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0262
_refine_ls_R_factor_gt           0.023
_refine_ls_wR_factor_ref         0.0553
_refine_ls_wR_factor_gt          0.0538
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_restrained_S_all      1.032
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0
_refine_diff_density_max         0.451
_refine_diff_density_min         -0.399
_refine_diff_density_rms         0.067

_iucr_refine_instructions_details 
;
.res file for SHELXL : job.res
.................................................................
TITL import in P 21/n
CELL 0.71073 10.9423 8.1961 23.3753 90.000 102.069 90.000
ZERR 4.00 0.0003 0.0002 0.0007 0.000 0.001 0.000
LATT 1
SYMM 1/2 - X, 1/2 + Y, 1/2 - Z
SFAC C H N CL RU
UNIT 96 104 4 4 4
MERG 2
FMAP 2
PLAN 20
ACTA
BOND $H
CONF
LIST 4
WPDB -2
L.S. 4
TEMP -123.00
WGHT 0.021000 1.152200
FVAR 0.45661
RU1 5 0.785449 0.294015 0.624525 11.00000 0.01163 0.01280 =
0.01228 0.00086 0.00281 0.00023
CL1 4 0.753777 0.577907 0.645192 11.00000 0.02618 0.01439 =
0.02195 0.00036 0.00622 0.00187
C1 1 0.922803 0.352052 0.772543 11.00000 0.02377 0.02365 =
0.01874 -0.00472 0.00214 0.00087
AFIX 137
H1A 2 0.854694 0.323246 0.792023 11.00000 -1.50000
H1B 2 0.918809 0.468861 0.763385 11.00000 -1.50000
H1C 2 1.003180 0.326968 0.798480 11.00000 -1.50000
AFIX 0
C2 1 0.910154 0.255890 0.717129 11.00000 0.01420 0.01751 =
0.01517 0.00044 -0.00027 0.00407
C3 1 0.827577 0.126011 0.704665 11.00000 0.01618 0.01652 =
0.01321 0.00465 0.00240 0.00318
AFIX 43
H3 2 0.780336 0.093485 0.732507 11.00000 -1.20000
AFIX 0
C4 1 0.812887 0.040580 0.650273 11.00000 0.01630 0.01338 =
0.01565 0.00159 0.00122 -0.00010
AFIX 43
H4 2 0.750501 -0.041433 0.641133 11.00000 -1.20000
AFIX 0
C5 1 0.889277 0.075427 0.609653 11.00000 0.01744 0.01569 =
0.01426 0.00266 0.00306 0.00518
C6 1 0.973294 0.210263 0.622578 11.00000 0.01280 0.02022 =
0.01980 0.00367 0.00505 0.00335
AFIX 43
H6 2 1.025801 0.237488 0.596367 11.00000 -1.20000
AFIX 0
C7 1 0.979109 0.302927 0.673564 11.00000 0.01317 0.01856 =
0.02199 0.00089 0.00085 -0.00184
AFIX 43
H7 2 1.029418 0.398390 0.679463 11.00000 -1.20000
AFIX 0
C8 1 0.887632 -0.027025 0.555656 11.00000 0.02742 0.01854 =
0.01707 0.00016 0.00822 0.00281
AFIX 13
H8 2 0.914911 0.043493 0.525724 11.00000 -1.20000
AFIX 0
C9 1 0.984098 -0.164310 0.572207 11.00000 0.03007 0.02529 =
0.02906 -0.00381 0.00894 0.00789
AFIX 137
H9A 2 1.066526 -0.116823 0.587803 11.00000 -1.50000
H9B 2 0.987500 -0.229439 0.537416 11.00000 -1.50000
H9C 2 0.959817 -0.234261 0.601964 11.00000 -1.50000
AFIX 0
C10 1 0.760289 -0.098107 0.528414 11.00000 0.03041 0.02747 =
0.01959 -0.00505 -0.00099 0.00396
AFIX 137
H10A 2 0.734831 -0.175036 0.555827 11.00000 -1.50000
H10B 2 0.765257 -0.155208 0.492136 11.00000 -1.50000
H10C 2 0.698768 -0.009857 0.519736 11.00000 -1.50000
AFIX 0
C11 1 0.745410 0.354029 0.537630 11.00000 0.01978 0.01381 =
0.01559 0.00066 0.00450 0.00400
C12 1 0.825105 0.415534 0.503009 11.00000 0.02281 0.02118 =
0.02073 0.00432 0.00870 0.00521
AFIX 43
H12 2 0.909519 0.439730 0.520573 11.00000 -1.20000
AFIX 0
C13 1 0.782618 0.441769 0.443292 11.00000 0.03408 0.02710 =
0.02293 0.00647 0.01537 0.00901
AFIX 43
H13 2 0.839044 0.482383 0.420855 11.00000 -1.20000
AFIX 0
C14 1 0.660034 0.410047 0.415835 11.00000 0.03604 0.03281 =
0.01432 0.00539 0.00624 0.01457
AFIX 43
H14 2 0.633414 0.425311 0.374830 11.00000 -1.20000
AFIX 0
C15 1 0.576523 0.355697 0.448921 11.00000 0.02347 0.02925 =
0.01943 0.00093 0.00077 0.00890
AFIX 43
H15 2 0.491494 0.336292 0.431093 11.00000 -1.20000
AFIX 0
C16 1 0.619556 0.329917 0.508984 11.00000 0.02066 0.01932 =
0.01711 0.00129 0.00398 0.00422
C17 1 0.538029 0.287744 0.548146 11.00000 0.01577 0.02139 =
0.01912 -0.00034 0.00050 0.00134
AFIX 43
H17 2 0.450533 0.275105 0.534306 11.00000 -1.20000
AFIX 0
N18 3 0.589209 0.268048 0.602636 11.00000 0.01510 0.01585 =
0.01657 0.00021 0.00353 0.00094
C19 1 0.510732 0.237812 0.643606 11.00000 0.01356 0.01772 =
0.01815 0.00305 0.00326 0.00298
C20 1 0.406403 0.136925 0.629796 11.00000 0.01803 0.02420 =
0.01753 0.00157 -0.00068 -0.00164
AFIX 43
H20 2 0.388349 0.081274 0.593349 11.00000 -1.20000
AFIX 0
C21 1 0.328260 0.117493 0.669506 11.00000 0.01462 0.02681 =
0.02618 0.00635 0.00017 -0.00411
AFIX 43
H21 2 0.256083 0.050614 0.659257 11.00000 -1.20000
AFIX 0
C22 1 0.354080 0.194151 0.723746 11.00000 0.01678 0.02607 =
0.02596 0.00664 0.00769 0.00480
C23 1 0.460845 0.291154 0.737475 11.00000 0.02011 0.02295 =
0.02153 -0.00266 0.00672 0.00038
AFIX 43
H23 2 0.480950 0.343421 0.774531 11.00000 -1.20000
AFIX 0
C24 1 0.538457 0.312894 0.698006 11.00000 0.01534 0.01990 =
0.02205 -0.00074 0.00367 -0.00161
AFIX 43
H24 2 0.610806 0.379442 0.708310 11.00000 -1.20000
AFIX 0
C25 1 0.270664 0.170875 0.767718 11.00000 0.02204 0.03945 =
0.03223 0.00645 0.01260 0.00055
AFIX 137
H25A 2 0.322717 0.157010 0.806963 11.00000 -1.50000
H25B 2 0.218527 0.073763 0.757264 11.00000 -1.50000
H25C 2 0.217060 0.266870 0.767228 11.00000 -1.50000
HKLF 4

REM import in P 21/n
REM R1 = 0.0230 for 4270 Fo > 4sig(Fo) and 0.0262 for all 4670 data
REM 248 parameters refined using 0 restraints

END

WGHT 0.0202 1.1861
REM Highest difference peak 0.45, deepest hole -0.40, 1-sigma level 0.07
Q1 1 0.5830 0.3015 0.5274 11.00000 0.05 0.45
Q2 1 0.8875 0.0198 0.5787 11.00000 0.05 0.36
Q3 1 0.8354 0.0687 0.6836 11.00000 0.05 0.36
Q4 1 0.8957 0.1586 0.7140 11.00000 0.05 0.34
Q5 1 0.9215 -0.0920 0.5694 11.00000 0.05 0.34
Q6 1 0.9152 0.2924 0.7423 11.00000 0.05 0.33
Q7 1 0.2953 0.2665 0.8060 11.00000 0.05 0.32
Q8 1 0.2653 0.0698 0.7891 11.00000 0.05 0.32
Q9 1 0.7192 0.4442 0.4335 11.00000 0.05 0.31
Q10 1 0.5043 0.3079 0.6605 11.00000 0.05 0.31
Q11 1 0.4547 0.1912 0.6358 11.00000 0.05 0.31
Q12 1 0.5056 0.2693 0.7171 11.00000 0.05 0.30
Q13 1 0.6821 0.3236 0.5250 11.00000 0.05 0.30
Q14 1 0.8182 0.1009 0.7193 11.00000 0.05 0.30
Q15 1 0.9373 0.1207 0.6194 11.00000 0.05 0.28
Q16 1 0.5393 0.2285 0.6736 11.00000 0.05 0.28
Q17 1 0.8737 0.0332 0.6371 11.00000 0.05 0.28
Q18 1 0.5516 0.2397 0.6256 11.00000 0.05 0.28
Q19 1 0.8357 0.2650 0.5953 11.00000 0.05 0.28
Q20 1 0.6276 0.3681 0.4301 11.00000 0.05 0.27
;

#----------------------------------------------------------------------------#
# ATOMIC TYPES, COORDINATES AND THERMAL PARAMETERS #
#----------------------------------------------------------------------------#

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 0 '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'
Cl Cl 0.1484 0.1585 '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'

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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.785449(12) 0.294015(15) 0.624525(6) 0.01219(5) Uani 1 1 d . . .
Cl1 Cl 0.75378(4) 0.57791(5) 0.645192(19) 0.02067(10) Uani 1 1 d . . .
C1 C 0.92280(18) 0.3521(2) 0.77254(8) 0.0224(4) Uani 1 1 d . . .
H1A H 0.8547 0.3232 0.792 0.034 Uiso 1 1 calc R . .
H1B H 0.9188 0.4689 0.7634 0.034 Uiso 1 1 calc R . .
H1C H 1.0032 0.327 0.7985 0.034 Uiso 1 1 calc R . .
C2 C 0.91015(16) 0.2559(2) 0.71713(8) 0.0161(3) Uani 1 1 d . . .
C3 C 0.82758(16) 0.1260(2) 0.70467(7) 0.0154(3) Uani 1 1 d . . .
H3 H 0.7803 0.0935 0.7325 0.018 Uiso 1 1 calc R . .
C4 C 0.81289(16) 0.0406(2) 0.65027(7) 0.0154(3) Uani 1 1 d . . .
H4 H 0.7505 -0.0414 0.6411 0.019 Uiso 1 1 calc R . .
C5 C 0.88928(16) 0.0754(2) 0.60965(7) 0.0158(3) Uani 1 1 d . . .
C6 C 0.97329(16) 0.2103(2) 0.62258(8) 0.0174(4) Uani 1 1 d . . .
H6 H 1.0258 0.2375 0.5964 0.021 Uiso 1 1 calc R . .
C7 C 0.97911(16) 0.3029(2) 0.67356(8) 0.0183(4) Uani 1 1 d . . .
H7 H 1.0294 0.3984 0.6795 0.022 Uiso 1 1 calc R . .
C8 C 0.88763(17) -0.0270(2) 0.55566(8) 0.0205(4) Uani 1 1 d . . .
H8 H 0.9149 0.0435 0.5257 0.025 Uiso 1 1 calc R . .
C9 C 0.98410(19) -0.1643(2) 0.57221(9) 0.0277(4) Uani 1 1 d . . .
H9A H 1.0665 -0.1168 0.5878 0.042 Uiso 1 1 calc R . .
H9B H 0.9875 -0.2294 0.5374 0.042 Uiso 1 1 calc R . .
H9C H 0.9598 -0.2343 0.602 0.042 Uiso 1 1 calc R . .
C10 C 0.76029(19) -0.0981(2) 0.52841(8) 0.0267(4) Uani 1 1 d . . .
H10A H 0.7348 -0.175 0.5558 0.04 Uiso 1 1 calc R . .
H10B H 0.7653 -0.1552 0.4921 0.04 Uiso 1 1 calc R . .
H10C H 0.6988 -0.0099 0.5197 0.04 Uiso 1 1 calc R . .
C11 C 0.74541(16) 0.3540(2) 0.53763(7) 0.0163(3) Uani 1 1 d . . .
C12 C 0.82511(18) 0.4155(2) 0.50301(8) 0.0210(4) Uani 1 1 d . . .
H12 H 0.9095 0.4397 0.5206 0.025 Uiso 1 1 calc R . .
C13 C 0.78262(19) 0.4418(2) 0.44329(8) 0.0267(4) Uani 1 1 d . . .
H13 H 0.839 0.4824 0.4209 0.032 Uiso 1 1 calc R . .
C14 C 0.6600(2) 0.4100(2) 0.41584(8) 0.0276(4) Uani 1 1 d . . .
H14 H 0.6334 0.4253 0.3748 0.033 Uiso 1 1 calc R . .
C15 C 0.57652(18) 0.3557(2) 0.44892(8) 0.0246(4) Uani 1 1 d . . .
H15 H 0.4915 0.3363 0.4311 0.03 Uiso 1 1 calc R . .
C16 C 0.61956(17) 0.3299(2) 0.50898(8) 0.0190(4) Uani 1 1 d . . .
C17 C 0.53803(17) 0.2877(2) 0.54815(8) 0.0192(4) Uani 1 1 d . . .
H17 H 0.4505 0.2751 0.5343 0.023 Uiso 1 1 calc R . .
N18 N 0.58921(13) 0.26805(17) 0.60264(6) 0.0158(3) Uani 1 1 d . . .
C19 C 0.51073(16) 0.2378(2) 0.64361(8) 0.0165(3) Uani 1 1 d . . .
C20 C 0.40640(17) 0.1369(2) 0.62980(8) 0.0206(4) Uani 1 1 d . . .
H20 H 0.3883 0.0813 0.5933 0.025 Uiso 1 1 calc R . .
C21 C 0.32826(17) 0.1175(2) 0.66951(8) 0.0231(4) Uani 1 1 d . . .
H21 H 0.2561 0.0506 0.6593 0.028 Uiso 1 1 calc R . .
C22 C 0.35408(17) 0.1942(2) 0.72375(9) 0.0225(4) Uani 1 1 d . . .
C23 C 0.46085(17) 0.2912(2) 0.73748(8) 0.0212(4) Uani 1 1 d . . .
H23 H 0.481 0.3434 0.7745 0.025 Uiso 1 1 calc R . .
C24 C 0.53846(17) 0.3129(2) 0.69801(8) 0.0191(4) Uani 1 1 d . . .
H24 H 0.6108 0.3794 0.7083 0.023 Uiso 1 1 calc R . .
C25 C 0.27066(19) 0.1709(3) 0.76772(9) 0.0302(5) Uani 1 1 d . . .
H25A H 0.3227 0.157 0.807 0.045 Uiso 1 1 calc R . .
H25B H 0.2185 0.0738 0.7573 0.045 Uiso 1 1 calc R . .
H25C H 0.2171 0.2669 0.7672 0.045 Uiso 1 1 calc R . .


loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Ru1 0.01163(8) 0.01280(8) 0.01228(8) 0.00086(5) 0.00281(5) 0.00023(5)
Cl1 0.0262(2) 0.01439(19) 0.0220(2) 0.00036(16) 0.00622(18) 0.00187(17)
C1 0.0238(10) 0.0236(9) 0.0187(9) -0.0047(7) 0.0021(8) 0.0009(8)
C2 0.0142(8) 0.0175(8) 0.0152(8) 0.0004(7) -0.0003(7) 0.0041(7)
C3 0.0162(8) 0.0165(8) 0.0132(8) 0.0047(6) 0.0024(7) 0.0032(7)
C4 0.0163(8) 0.0134(8) 0.0157(8) 0.0016(6) 0.0012(7) -0.0001(7)
C5 0.0174(9) 0.0157(8) 0.0143(8) 0.0027(6) 0.0031(7) 0.0052(7)
C6 0.0128(9) 0.0202(8) 0.0198(9) 0.0037(7) 0.0051(7) 0.0034(7)
C7 0.0132(9) 0.0186(9) 0.0220(9) 0.0009(7) 0.0009(7) -0.0018(7)
C8 0.0274(10) 0.0185(8) 0.0171(9) 0.0002(7) 0.0082(8) 0.0028(8)
C9 0.0301(11) 0.0253(9) 0.0291(11) -0.0038(8) 0.0089(9) 0.0079(8)
C10 0.0304(11) 0.0275(10) 0.0196(9) -0.0051(8) -0.0010(8) 0.0040(8)
C11 0.0198(9) 0.0138(8) 0.0156(8) 0.0007(7) 0.0045(7) 0.0040(7)
C12 0.0228(10) 0.0212(9) 0.0207(9) 0.0043(7) 0.0087(8) 0.0052(7)
C13 0.0341(11) 0.0271(10) 0.0229(10) 0.0065(8) 0.0154(9) 0.0090(9)
C14 0.0360(12) 0.0328(10) 0.0143(9) 0.0054(8) 0.0062(8) 0.0146(9)
C15 0.0235(10) 0.0292(10) 0.0194(9) 0.0009(8) 0.0008(8) 0.0089(8)
C16 0.0207(9) 0.0193(8) 0.0171(9) 0.0013(7) 0.0040(7) 0.0042(7)
C17 0.0158(9) 0.0214(9) 0.0191(9) -0.0003(7) 0.0005(7) 0.0013(7)
N18 0.0151(7) 0.0158(7) 0.0166(7) 0.0002(6) 0.0035(6) 0.0009(6)
C19 0.0136(8) 0.0177(8) 0.0181(9) 0.0031(7) 0.0033(7) 0.0030(7)
C20 0.0180(9) 0.0242(9) 0.0175(9) 0.0016(7) -0.0007(7) -0.0016(8)
C21 0.0146(9) 0.0268(10) 0.0262(10) 0.0064(8) 0.0002(7) -0.0041(7)
C22 0.0168(9) 0.0261(10) 0.0260(10) 0.0066(8) 0.0077(8) 0.0048(7)
C23 0.0201(9) 0.0230(9) 0.0215(9) -0.0027(7) 0.0067(8) 0.0004(7)
C24 0.0153(9) 0.0199(9) 0.0221(9) -0.0007(7) 0.0037(7) -0.0016(7)
C25 0.0220(10) 0.0395(11) 0.0322(11) 0.0065(9) 0.0126(9) 0.0006(9)



#----------------------------------------------------------------------------#
# MOLECULAR GEOMETRY #
#----------------------------------------------------------------------------#

_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 C11 2.0463(17) . ?
Ru1 N18 2.1115(15) . ?
Ru1 C4 2.1660(16) . ?
Ru1 C6 2.1765(17) . ?
Ru1 C5 2.1878(16) . ?
Ru1 C7 2.1895(18) . ?
Ru1 C3 2.2928(16) . ?
Ru1 C2 2.3260(17) . ?
Ru1 Cl1 2.4161(4) . ?
C1 C2 1.498(2) . ?
C1 H1A 0.98 . ?
C1 H1B 0.98 . ?
C1 H1C 0.98 . ?
C2 C3 1.387(2) . ?
C2 C7 1.441(2) . ?
C3 C4 1.431(2) . ?
C3 H3 0.95 . ?
C4 C5 1.419(2) . ?
C4 H4 0.95 . ?
C5 C6 1.429(2) . ?
C5 C8 1.513(2) . ?
C6 C7 1.403(2) . ?
C6 H6 0.95 . ?
C7 H7 0.95 . ?
C8 C10 1.522(3) . ?
C8 C9 1.536(3) . ?
C8 H8 1 . ?
C9 H9A 0.98 . ?
C9 H9B 0.98 . ?
C9 H9C 0.98 . ?
C10 H10A 0.98 . ?
C10 H10B 0.98 . ?
C10 H10C 0.98 . ?
C11 C12 1.402(2) . ?
C11 C16 1.414(3) . ?
C12 C13 1.393(3) . ?
C12 H12 0.95 . ?
C13 C14 1.385(3) . ?
C13 H13 0.95 . ?
C14 C15 1.388(3) . ?
C14 H14 0.95 . ?
C15 C16 1.400(3) . ?
C15 H15 0.95 . ?
C16 C17 1.447(3) . ?
C17 N18 1.290(2) . ?
C17 H17 0.95 . ?
N18 C19 1.435(2) . ?
C19 C24 1.388(3) . ?
C19 C20 1.392(3) . ?
C20 C21 1.396(3) . ?
C20 H20 0.95 . ?
C21 C22 1.390(3) . ?
C21 H21 0.95 . ?
C22 C23 1.394(3) . ?
C22 C25 1.523(3) . ?
C23 C24 1.390(3) . ?
C23 H23 0.95 . ?
C24 H24 0.95 . ?
C25 H25A 0.98 . ?
C25 H25B 0.98 . ?
C25 H25C 0.98 . ?


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
C11 Ru1 N18 77.75(6) . . ?
C11 Ru1 C4 119.66(6) . . ?
N18 Ru1 C4 92.61(6) . . ?
C11 Ru1 C6 93.57(7) . . ?
N18 Ru1 C6 151.66(6) . . ?
C4 Ru1 C6 68.08(6) . . ?
C11 Ru1 C5 92.85(6) . . ?
N18 Ru1 C5 114.49(6) . . ?
C4 Ru1 C5 38.04(6) . . ?
C6 Ru1 C5 38.22(6) . . ?
C11 Ru1 C7 119.64(7) . . ?
N18 Ru1 C7 162.57(6) . . ?
C4 Ru1 C7 79.85(6) . . ?
C6 Ru1 C7 37.50(6) . . ?
C5 Ru1 C7 68.45(6) . . ?
C11 Ru1 C3 156.94(6) . . ?
N18 Ru1 C3 99.09(6) . . ?
C4 Ru1 C3 37.30(6) . . ?
C6 Ru1 C3 78.36(6) . . ?
C5 Ru1 C3 67.40(6) . . ?
C7 Ru1 C3 65.48(6) . . ?
C11 Ru1 C2 156.67(7) . . ?
N18 Ru1 C2 125.52(6) . . ?
C4 Ru1 C2 65.94(6) . . ?
C6 Ru1 C2 66.69(6) . . ?
C5 Ru1 C2 79.33(6) . . ?
C7 Ru1 C2 37.06(6) . . ?
C3 Ru1 C2 34.95(6) . . ?
C11 Ru1 Cl1 87.54(5) . . ?
N18 Ru1 Cl1 87.96(4) . . ?
C4 Ru1 Cl1 152.29(5) . . ?
C6 Ru1 Cl1 118.91(5) . . ?
C5 Ru1 Cl1 157.13(5) . . ?
C7 Ru1 Cl1 91.53(5) . . ?
C3 Ru1 Cl1 115.33(4) . . ?
C2 Ru1 Cl1 91.38(4) . . ?
C2 C1 H1A 109.5 . . ?
C2 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
C2 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C3 C2 C7 118.11(16) . . ?
C3 C2 C1 121.59(16) . . ?
C7 C2 C1 120.20(16) . . ?
C3 C2 Ru1 71.22(10) . . ?
C7 C2 Ru1 66.32(10) . . ?
C1 C2 Ru1 131.63(12) . . ?
C2 C3 C4 120.62(15) . . ?
C2 C3 Ru1 73.83(10) . . ?
C4 C3 Ru1 66.54(9) . . ?
C2 C3 H3 119.7 . . ?
C4 C3 H3 119.7 . . ?
Ru1 C3 H3 133.1 . . ?
C5 C4 C3 121.58(16) . . ?
C5 C4 Ru1 71.81(9) . . ?
C3 C4 Ru1 76.17(10) . . ?
C5 C4 H4 119.2 . . ?
C3 C4 H4 119.2 . . ?
Ru1 C4 H4 124.4 . . ?
C4 C5 C6 117.20(15) . . ?
C4 C5 C8 122.72(16) . . ?
C6 C5 C8 120.04(15) . . ?
C4 C5 Ru1 70.15(9) . . ?
C6 C5 Ru1 70.46(9) . . ?
C8 C5 Ru1 132.15(12) . . ?
C7 C6 C5 120.73(16) . . ?
C7 C6 Ru1 71.75(10) . . ?
C5 C6 Ru1 71.32(9) . . ?
C7 C6 H6 119.6 . . ?
C5 C6 H6 119.6 . . ?
Ru1 C6 H6 129.8 . . ?
C6 C7 C2 121.19(16) . . ?
C6 C7 Ru1 70.75(10) . . ?
C2 C7 Ru1 76.62(10) . . ?
C6 C7 H7 119.4 . . ?
C2 C7 H7 119.4 . . ?
Ru1 C7 H7 124.9 . . ?
C5 C8 C10 114.31(15) . . ?
C5 C8 C9 107.98(15) . . ?
C10 C8 C9 110.24(16) . . ?
C5 C8 H8 108 . . ?
C10 C8 H8 108 . . ?
C9 C8 H8 108 . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C8 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C8 C10 H10A 109.5 . . ?
C8 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C8 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C12 C11 C16 116.03(16) . . ?
C12 C11 Ru1 129.02(14) . . ?
C16 C11 Ru1 114.95(12) . . ?
C13 C12 C11 121.11(18) . . ?
C13 C12 H12 119.4 . . ?
C11 C12 H12 119.4 . . ?
C14 C13 C12 121.56(18) . . ?
C14 C13 H13 119.2 . . ?
C12 C13 H13 119.2 . . ?
C13 C14 C15 119.25(18) . . ?
C13 C14 H14 120.4 . . ?
C15 C14 H14 120.4 . . ?
C14 C15 C16 118.98(18) . . ?
C14 C15 H15 120.5 . . ?
C16 C15 H15 120.5 . . ?
C15 C16 C11 122.95(17) . . ?
C15 C16 C17 123.20(17) . . ?
C11 C16 C17 113.71(16) . . ?
N18 C17 C16 117.17(17) . . ?
N18 C17 H17 121.4 . . ?
C16 C17 H17 121.4 . . ?
C17 N18 C19 118.93(15) . . ?
C17 N18 Ru1 115.86(12) . . ?
C19 N18 Ru1 125.15(12) . . ?
C24 C19 C20 119.17(16) . . ?
C24 C19 N18 119.22(16) . . ?
C20 C19 N18 121.60(16) . . ?
C19 C20 C21 120.01(17) . . ?
C19 C20 H20 120 . . ?
C21 C20 H20 120 . . ?
C22 C21 C20 121.25(17) . . ?
C22 C21 H21 119.4 . . ?
C20 C21 H21 119.4 . . ?
C21 C22 C23 117.94(17) . . ?
C21 C22 C25 121.53(18) . . ?
C23 C22 C25 120.52(18) . . ?
C24 C23 C22 121.28(18) . . ?
C24 C23 H23 119.4 . . ?
C22 C23 H23 119.4 . . ?
C19 C24 C23 120.30(17) . . ?
C19 C24 H24 119.9 . . ?
C23 C24 H24 119.9 . . ?
C22 C25 H25A 109.5 . . ?
C22 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C22 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 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
C11 Ru1 C2 C3 -137.57(15) . . . . ?
N18 Ru1 C2 C3 46.96(12) . . . . ?
C4 Ru1 C2 C3 -28.12(10) . . . . ?
C6 Ru1 C2 C3 -103.48(11) . . . . ?
C5 Ru1 C2 C3 -65.60(10) . . . . ?
C7 Ru1 C2 C3 -133.84(15) . . . . ?
Cl1 Ru1 C2 C3 135.44(10) . . . . ?
C11 Ru1 C2 C7 -3.7(2) . . . . ?
N18 Ru1 C2 C7 -179.20(9) . . . . ?
C4 Ru1 C2 C7 105.72(11) . . . . ?
C6 Ru1 C2 C7 30.36(10) . . . . ?
C5 Ru1 C2 C7 68.24(10) . . . . ?
C3 Ru1 C2 C7 133.84(15) . . . . ?
Cl1 Ru1 C2 C7 -90.72(9) . . . . ?
C11 Ru1 C2 C1 106.5(2) . . . . ?
N18 Ru1 C2 C1 -69.01(18) . . . . ?
C4 Ru1 C2 C1 -144.09(18) . . . . ?
C6 Ru1 C2 C1 140.55(18) . . . . ?
C5 Ru1 C2 C1 178.43(18) . . . . ?
C7 Ru1 C2 C1 110.2(2) . . . . ?
C3 Ru1 C2 C1 -116.0(2) . . . . ?
Cl1 Ru1 C2 C1 19.47(17) . . . . ?
C7 C2 C3 C4 0.7(2) . . . . ?
C1 C2 C3 C4 177.13(16) . . . . ?
Ru1 C2 C3 C4 49.21(14) . . . . ?
C7 C2 C3 Ru1 -48.49(14) . . . . ?
C1 C2 C3 Ru1 127.92(16) . . . . ?
C11 Ru1 C3 C2 136.98(16) . . . . ?
N18 Ru1 C3 C2 -142.95(10) . . . . ?
C4 Ru1 C3 C2 134.75(15) . . . . ?
C6 Ru1 C3 C2 65.76(10) . . . . ?
C5 Ru1 C3 C2 104.21(11) . . . . ?
C7 Ru1 C3 C2 28.54(10) . . . . ?
Cl1 Ru1 C3 C2 -50.90(11) . . . . ?
C11 Ru1 C3 C4 2.2(2) . . . . ?
N18 Ru1 C3 C4 82.30(10) . . . . ?
C6 Ru1 C3 C4 -68.99(10) . . . . ?
C5 Ru1 C3 C4 -30.54(10) . . . . ?
C7 Ru1 C3 C4 -106.21(11) . . . . ?
C2 Ru1 C3 C4 -134.75(15) . . . . ?
Cl1 Ru1 C3 C4 174.35(8) . . . . ?
C2 C3 C4 C5 5.6(3) . . . . ?
Ru1 C3 C4 C5 58.09(14) . . . . ?
C2 C3 C4 Ru1 -52.44(15) . . . . ?
C11 Ru1 C4 C5 50.58(12) . . . . ?
N18 Ru1 C4 C5 127.96(10) . . . . ?
C6 Ru1 C4 C5 -30.68(10) . . . . ?
C7 Ru1 C4 C5 -67.86(11) . . . . ?
C3 Ru1 C4 C5 -130.43(15) . . . . ?
C2 Ru1 C4 C5 -103.97(11) . . . . ?
Cl1 Ru1 C4 C5 -141.46(10) . . . . ?
C11 Ru1 C4 C3 -178.99(10) . . . . ?
N18 Ru1 C4 C3 -101.61(10) . . . . ?
C6 Ru1 C4 C3 99.75(11) . . . . ?
C5 Ru1 C4 C3 130.43(15) . . . . ?
C7 Ru1 C4 C3 62.57(10) . . . . ?
C2 Ru1 C4 C3 26.46(9) . . . . ?
Cl1 Ru1 C4 C3 -11.03(16) . . . . ?
C3 C4 C5 C6 -6.0(2) . . . . ?
Ru1 C4 C5 C6 54.17(13) . . . . ?
C3 C4 C5 C8 171.80(15) . . . . ?
Ru1 C4 C5 C8 -128.03(16) . . . . ?
C3 C4 C5 Ru1 -60.18(15) . . . . ?
C11 Ru1 C5 C4 -137.77(11) . . . . ?
N18 Ru1 C5 C4 -59.93(11) . . . . ?
C6 Ru1 C5 C4 130.08(15) . . . . ?
C7 Ru1 C5 C4 101.38(11) . . . . ?
C3 Ru1 C5 C4 29.98(10) . . . . ?
C2 Ru1 C5 C4 64.38(10) . . . . ?
Cl1 Ru1 C5 C4 131.81(11) . . . . ?
C11 Ru1 C5 C6 92.15(11) . . . . ?
N18 Ru1 C5 C6 169.99(10) . . . . ?
C4 Ru1 C5 C6 -130.08(15) . . . . ?
C7 Ru1 C5 C6 -28.70(10) . . . . ?
C3 Ru1 C5 C6 -100.11(11) . . . . ?
C2 Ru1 C5 C6 -65.70(10) . . . . ?
Cl1 Ru1 C5 C6 1.73(18) . . . . ?
C11 Ru1 C5 C8 -21.13(17) . . . . ?
N18 Ru1 C5 C8 56.71(17) . . . . ?
C4 Ru1 C5 C8 116.6(2) . . . . ?
C6 Ru1 C5 C8 -113.3(2) . . . . ?
C7 Ru1 C5 C8 -141.98(18) . . . . ?
C3 Ru1 C5 C8 146.62(18) . . . . ?
C2 Ru1 C5 C8 -178.98(17) . . . . ?
Cl1 Ru1 C5 C8 -111.55(17) . . . . ?
C4 C5 C6 C7 0.1(2) . . . . ?
C8 C5 C6 C7 -177.72(16) . . . . ?
Ru1 C5 C6 C7 54.16(15) . . . . ?
C4 C5 C6 Ru1 -54.01(13) . . . . ?
C8 C5 C6 Ru1 128.12(15) . . . . ?
C11 Ru1 C6 C7 137.12(10) . . . . ?
N18 Ru1 C6 C7 -152.28(12) . . . . ?
C4 Ru1 C6 C7 -102.26(11) . . . . ?
C5 Ru1 C6 C7 -132.81(15) . . . . ?
C3 Ru1 C6 C7 -64.69(10) . . . . ?
C2 Ru1 C6 C7 -30.03(10) . . . . ?
Cl1 Ru1 C6 C7 47.96(11) . . . . ?
C11 Ru1 C6 C5 -90.07(10) . . . . ?
N18 Ru1 C6 C5 -19.47(18) . . . . ?
C4 Ru1 C6 C5 30.55(10) . . . . ?
C7 Ru1 C6 C5 132.81(15) . . . . ?
C3 Ru1 C6 C5 68.12(10) . . . . ?
C2 Ru1 C6 C5 102.78(11) . . . . ?
Cl1 Ru1 C6 C5 -179.23(8) . . . . ?
C5 C6 C7 C2 6.2(3) . . . . ?
Ru1 C6 C7 C2 60.13(15) . . . . ?
C5 C6 C7 Ru1 -53.96(14) . . . . ?
C3 C2 C7 C6 -6.6(3) . . . . ?
C1 C2 C7 C6 176.96(16) . . . . ?
Ru1 C2 C7 C6 -57.30(15) . . . . ?
C3 C2 C7 Ru1 50.73(15) . . . . ?
C1 C2 C7 Ru1 -125.74(16) . . . . ?
C11 Ru1 C7 C6 -51.39(12) . . . . ?
N18 Ru1 C7 C6 132.50(19) . . . . ?
C4 Ru1 C7 C6 67.07(10) . . . . ?
C5 Ru1 C7 C6 29.21(10) . . . . ?
C3 Ru1 C7 C6 103.31(11) . . . . ?
C2 Ru1 C7 C6 130.31(15) . . . . ?
Cl1 Ru1 C7 C6 -139.43(9) . . . . ?
C11 Ru1 C7 C2 178.30(10) . . . . ?
N18 Ru1 C7 C2 2.2(3) . . . . ?
C4 Ru1 C7 C2 -63.25(10) . . . . ?
C6 Ru1 C7 C2 -130.31(15) . . . . ?
C5 Ru1 C7 C2 -101.10(11) . . . . ?
C3 Ru1 C7 C2 -27.01(10) . . . . ?
Cl1 Ru1 C7 C2 90.26(9) . . . . ?
C4 C5 C8 C10 34.0(2) . . . . ?
C6 C5 C8 C10 -148.26(16) . . . . ?
Ru1 C5 C8 C10 -58.1(2) . . . . ?
C4 C5 C8 C9 -89.1(2) . . . . ?
C6 C5 C8 C9 88.67(19) . . . . ?
Ru1 C5 C8 C9 178.80(13) . . . . ?
N18 Ru1 C11 C12 173.17(17) . . . . ?
C4 Ru1 C11 C12 -100.84(16) . . . . ?
C6 Ru1 C11 C12 -34.10(16) . . . . ?
C5 Ru1 C11 C12 -72.38(16) . . . . ?
C7 Ru1 C11 C12 -5.64(18) . . . . ?
C3 Ru1 C11 C12 -102.4(2) . . . . ?
C2 Ru1 C11 C12 -3.1(3) . . . . ?
Cl1 Ru1 C11 C12 84.73(16) . . . . ?
N18 Ru1 C11 C16 -6.70(12) . . . . ?
C4 Ru1 C11 C16 79.29(14) . . . . ?
C6 Ru1 C11 C16 146.03(13) . . . . ?
C5 Ru1 C11 C16 107.75(13) . . . . ?
C7 Ru1 C11 C16 174.49(12) . . . . ?
C3 Ru1 C11 C16 77.7(2) . . . . ?
C2 Ru1 C11 C16 177.08(13) . . . . ?
Cl1 Ru1 C11 C16 -95.14(12) . . . . ?
C16 C11 C12 C13 -3.5(3) . . . . ?
Ru1 C11 C12 C13 176.65(13) . . . . ?
C11 C12 C13 C14 0.7(3) . . . . ?
C12 C13 C14 C15 2.1(3) . . . . ?
C13 C14 C15 C16 -1.8(3) . . . . ?
C14 C15 C16 C11 -1.1(3) . . . . ?
C14 C15 C16 C17 174.23(17) . . . . ?
C12 C11 C16 C15 3.7(3) . . . . ?
Ru1 C11 C16 C15 -176.37(14) . . . . ?
C12 C11 C16 C17 -172.03(15) . . . . ?
Ru1 C11 C16 C17 7.9(2) . . . . ?
C15 C16 C17 N18 -179.65(17) . . . . ?
C11 C16 C17 N18 -3.9(2) . . . . ?
C16 C17 N18 C19 175.54(15) . . . . ?
C16 C17 N18 Ru1 -1.9(2) . . . . ?
C11 Ru1 N18 C17 4.73(12) . . . . ?
C4 Ru1 N18 C17 -115.07(13) . . . . ?
C6 Ru1 N18 C17 -69.71(19) . . . . ?
C5 Ru1 N18 C17 -82.80(13) . . . . ?
C7 Ru1 N18 C17 -178.72(17) . . . . ?
C3 Ru1 N18 C17 -152.02(13) . . . . ?
C2 Ru1 N18 C17 -177.11(12) . . . . ?
Cl1 Ru1 N18 C17 92.65(12) . . . . ?
C11 Ru1 N18 C19 -172.48(14) . . . . ?
C4 Ru1 N18 C19 67.72(14) . . . . ?
C6 Ru1 N18 C19 113.08(16) . . . . ?
C5 Ru1 N18 C19 99.98(14) . . . . ?
C7 Ru1 N18 C19 4.1(3) . . . . ?
C3 Ru1 N18 C19 30.77(14) . . . . ?
C2 Ru1 N18 C19 5.68(16) . . . . ?
Cl1 Ru1 N18 C19 -84.56(13) . . . . ?
C17 N18 C19 C24 -139.37(18) . . . . ?
Ru1 N18 C19 C24 37.8(2) . . . . ?
C17 N18 C19 C20 39.7(2) . . . . ?
Ru1 N18 C19 C20 -143.20(14) . . . . ?
C24 C19 C20 C21 2.6(3) . . . . ?
N18 C19 C20 C21 -176.44(16) . . . . ?
C19 C20 C21 C22 -1.6(3) . . . . ?
C20 C21 C22 C23 -0.1(3) . . . . ?
C20 C21 C22 C25 -178.80(17) . . . . ?
C21 C22 C23 C24 0.9(3) . . . . ?
C25 C22 C23 C24 179.59(17) . . . . ?
C20 C19 C24 C23 -1.8(3) . . . . ?
N18 C19 C24 C23 177.22(16) . . . . ?
C22 C23 C24 C19 0.1(3) . . . . ?






data_job_3d
_database_code_depnum_ccdc_archive 'CCDC 891361'
#TrackingRef '- Complex3d-LB476_150K_APEX_18nov11_archive.cif'


_audit_creation_date             2011-11-18T18:08:11-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.4
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic

#----------------------------------------------------------------------------#
# CHEMICAL INFORMATION #
#----------------------------------------------------------------------------#

_chemical_name_systematic        
;
?
;
_chemical_formula_moiety         'C25 H28 Cl N O Ru'
_chemical_formula_sum            'C25 H28 Cl N O Ru'
_chemical_formula_weight         495
_chemical_compound_source        'synthesis as described'

#----------------------------------------------------------------------------#
# UNIT CELL INFORMATION #
#----------------------------------------------------------------------------#

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_Int_Tables_number      2
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   9.2982(2)
_cell_length_b                   9.9096(2)
_cell_length_c                   13.0735(2)
_cell_angle_alpha                100.5580(10)
_cell_angle_beta                 109.7180(10)
_cell_angle_gamma                97.9670(10)
_cell_volume                     1088.32(4)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9144
_cell_measurement_theta_min      2.39
_cell_measurement_theta_max      27.48
_cell_measurement_wavelength     0.71073

#----------------------------------------------------------------------------#
# CRYSTAL INFORMATION #
#----------------------------------------------------------------------------#

_exptl_crystal_description       prism
_exptl_crystal_colour            ORANGE
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.1
_exptl_crystal_density_diffrn    1.511
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             508
_exptl_special_details           
;
?
;

#----------------------------------------------------------------------------#
# ABSORPTION CORRECTION #
#----------------------------------------------------------------------------#

_exptl_absorpt_coefficient_mu    0.859
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
[Sheldrick, G.M. (2002). SADABS Bruker AXS Inc., Madison, Wisconsin, USA]
;
_exptl_absorpt_correction_T_min  0.851
_exptl_absorpt_correction_T_max  0.918


#----------------------------------------------------------------------------#
# DATA COLLECTION #
#----------------------------------------------------------------------------#

_diffrn_measurement_device_type  'APEXII, Bruker-AXS'
_diffrn_measurement_method       'CCD rotation images, thin slices'
_diffrn_detector                 'CCD plate'
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_reflns_av_R_equivalents  0.0366
_diffrn_reflns_av_unetI/netI     0.0393
_diffrn_reflns_number            13893
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         3.12
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_full        27.48
_diffrn_measured_fraction_theta_full 0.99
_diffrn_measured_fraction_theta_max 0.99
_reflns_number_total             4937
_reflns_number_gt                4661
_reflns_threshold_expression     >2sigma(I)

#----------------------------------------------------------------------------#
# COMPUTER PROGRAMS USED #
#----------------------------------------------------------------------------#

_computing_data_collection       'Bruker APEX2 (Bruker, 2006)'
_computing_cell_refinement       'Bruker APEX2 (Bruker, 2006)'
_computing_data_reduction        'Bruker APEX2 (Bruker, 2006)'
_computing_structure_solution    'SIR97 (Altomare et al., 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  
;
WinGX publication routines (Farrugia, 1999),
CRYSCAL (T. Roisnel, local program)
;

#----------------------------------------------------------------------------#
# REFINEMENT INFORMATION #
#----------------------------------------------------------------------------#

_refine_special_details          
;
Refinement of F^2^ against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F^2^ are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0108P)^2^+0.6580P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_number_reflns         4937
_refine_ls_number_parameters     267
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0248
_refine_ls_R_factor_gt           0.0232
_refine_ls_wR_factor_ref         0.0569
_refine_ls_wR_factor_gt          0.056
_refine_ls_goodness_of_fit_ref   1.04
_refine_ls_restrained_S_all      1.04
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0
_refine_diff_density_max         0.494
_refine_diff_density_min         -0.364
_refine_diff_density_rms         0.064

_iucr_refine_instructions_details 
;
.res file for SHELXL : JOB.res
.................................................................
TITL import in P -1
CELL 0.71073 9.2982 9.9096 13.0735 100.558 109.718 97.967
ZERR 2.00 0.0002 0.0002 0.0002 0.001 0.001 0.001
LATT 1
SFAC C H N O CL RU
UNIT 50 56 2 2 2 2
MERG 2
FMAP 2
PLAN 20
ACTA
BOND $H
CONF
LIST 4
WPDB -2
L.S. 4
TEMP -123.00
WGHT 0.010800 0.658000
FVAR 0.83925
RU1 6 0.734630 0.404431 0.203075 11.00000 0.01547 0.01138 =
0.01311 0.00312 0.00397 0.00315
CL1 5 0.748406 0.335830 0.020166 11.00000 0.03804 0.01841 =
0.01853 0.00213 0.01352 0.00257
C1 1 0.573579 0.504994 0.391015 11.00000 0.02991 0.02669 =
0.03108 0.00232 0.01841 0.00219
AFIX 137
H1A 2 0.606012 0.442860 0.440848 11.00000 -1.50000
H1B 2 0.471809 0.459203 0.331613 11.00000 -1.50000
H1C 2 0.565100 0.593422 0.434171 11.00000 -1.50000
AFIX 0
C2 1 0.693292 0.534988 0.339346 11.00000 0.02314 0.01554 =
0.01943 -0.00194 0.00997 0.00046
C3 1 0.663097 0.600421 0.248438 11.00000 0.02232 0.01238 =
0.02521 0.00165 0.00917 0.00553
AFIX 43
H3 2 0.565215 0.625780 0.218867 11.00000 -1.20000
AFIX 0
C4 1 0.776527 0.627943 0.201919 11.00000 0.02337 0.01135 =
0.02014 0.00409 0.00661 0.00388
AFIX 43
H4 2 0.750406 0.663878 0.136966 11.00000 -1.20000
AFIX 0
C5 1 0.931640 0.603125 0.250090 11.00000 0.02034 0.01138 =
0.01928 0.00021 0.00636 0.00011
C6 1 0.961615 0.538925 0.338811 11.00000 0.01807 0.01836 =
0.01431 -0.00005 0.00249 0.00208
AFIX 43
H6 2 1.062646 0.521244 0.372651 11.00000 -1.20000
AFIX 0
C7 1 0.840919 0.499134 0.379679 11.00000 0.02406 0.01905 =
0.01424 0.00198 0.00413 0.00043
AFIX 43
H7 2 0.860665 0.447228 0.435415 11.00000 -1.20000
AFIX 0
C8 1 1.049498 0.642329 0.198397 11.00000 0.02324 0.01950 =
0.02080 0.00479 0.00989 0.00298
AFIX 13
H8 2 0.996393 0.606948 0.115184 11.00000 -1.20000
AFIX 0
C9 1 1.098736 0.802798 0.225167 11.00000 0.02733 0.02093 =
0.03741 0.00838 0.01463 -0.00094
AFIX 137
H9A 2 1.005399 0.842460 0.201908 11.00000 -1.50000
H9B 2 1.165679 0.828703 0.184725 11.00000 -1.50000
H9C 2 1.156626 0.839882 0.305992 11.00000 -1.50000
AFIX 0
C10 1 1.193416 0.579358 0.235143 11.00000 0.03224 0.03492 =
0.04490 0.01753 0.02431 0.01402
AFIX 137
H10A 2 1.250324 0.615607 0.316152 11.00000 -1.50000
H10B 2 1.261675 0.605207 0.195608 11.00000 -1.50000
H10C 2 1.160878 0.476731 0.217321 11.00000 -1.50000
AFIX 0
C11 1 0.512366 0.284460 0.133944 11.00000 0.01827 0.01745 =
0.01386 0.00244 0.00558 0.00374
C12 1 0.372287 0.326874 0.086194 11.00000 0.02272 0.02162 =
0.01766 0.00511 0.00551 0.00674
AFIX 43
H12 2 0.374939 0.422716 0.084919 11.00000 -1.20000
AFIX 0
C13 1 0.229098 0.230608 0.040532 11.00000 0.01841 0.03625 =
0.02015 0.00711 0.00513 0.00689
AFIX 43
H13 2 0.135176 0.262573 0.011943 11.00000 -1.20000
AFIX 0
C14 1 0.221695 0.088995 0.036214 11.00000 0.01765 0.03137 =
0.02484 0.00158 0.00687 -0.00324
AFIX 43
H14 2 0.123757 0.023861 0.001795 11.00000 -1.20000
AFIX 0
C15 1 0.357473 0.042761 0.082215 11.00000 0.02458 0.01839 =
0.02576 0.00262 0.01144 -0.00032
AFIX 43
H15 2 0.353406 -0.054061 0.080155 11.00000 -1.20000
AFIX 0
C16 1 0.500620 0.139883 0.131728 11.00000 0.01905 0.01646 =
0.01735 0.00286 0.00831 0.00279
C17 1 0.648408 0.101053 0.185294 11.00000 0.02237 0.01592 =
0.01790 0.00471 0.01037 0.00510
C18 1 0.656625 -0.046870 0.192980 11.00000 0.02825 0.01501 =
0.03264 0.00792 0.01370 0.00579
AFIX 137
H18A 2 0.765285 -0.057196 0.212635 11.00000 -1.50000
H18B 2 0.591442 -0.111908 0.120536 11.00000 -1.50000
H18C 2 0.618523 -0.068267 0.250796 11.00000 -1.50000
AFIX 0
N19 3 0.768969 0.206151 0.225791 11.00000 0.01843 0.01534 =
0.01695 0.00578 0.00642 0.00524
C20 1 0.922650 0.187382 0.286317 11.00000 0.02088 0.01336 =
0.02102 0.00538 0.00518 0.00552
C21 1 1.035243 0.196856 0.238870 11.00000 0.02196 0.01864 =
0.02196 0.00652 0.00662 0.00605
AFIX 43
H21 2 1.009963 0.215158 0.166731 11.00000 -1.20000
AFIX 0
C22 1 1.185193 0.179743 0.296173 11.00000 0.02009 0.01970 =
0.02832 0.00519 0.00826 0.00619
AFIX 43
H22 2 1.261883 0.185513 0.263213 11.00000 -1.20000
AFIX 0
C23 1 1.221389 0.154162 0.401973 11.00000 0.02252 0.01675 =
0.02750 0.00375 0.00186 0.00777
C24 1 1.110105 0.148280 0.450827 11.00000 0.03325 0.02731 =
0.01988 0.00904 0.00494 0.01202
AFIX 43
H24 2 1.136187 0.133082 0.523979 11.00000 -1.20000
AFIX 0
C25 1 0.961152 0.164532 0.393091 11.00000 0.02687 0.02484 =
0.02350 0.00812 0.01011 0.01063
AFIX 43
H25 2 0.885010 0.160048 0.426581 11.00000 -1.20000
AFIX 0
O26 4 1.365382 0.133554 0.464357 11.00000 0.02639 0.03826 =
0.03253 0.00988 0.00158 0.01643
C27 1 1.472917 0.115486 0.409392 11.00000 0.02342 0.03847 =
0.05626 0.02095 0.00992 0.01189
AFIX 137
H27A 2 1.425314 0.035398 0.343652 11.00000 -1.50000
H27B 2 1.568558 0.097851 0.461225 11.00000 -1.50000
H27C 2 1.498744 0.200797 0.385545 11.00000 -1.50000
HKLF 4

REM import in P -1
REM R1 = 0.0232 for 4661 Fo > 4sig(Fo) and 0.0248 for all 4937 data
REM 267 parameters refined using 0 restraints

END

WGHT 0.0096 0.6710
REM Highest difference peak 0.49, deepest hole -0.36, 1-sigma level 0.06
Q1 1 0.8174 0.3948 0.1927 11.00000 0.05 0.49
Q2 1 0.5712 0.1183 0.1642 11.00000 0.05 0.43
Q3 1 0.7669 0.5232 0.3578 11.00000 0.05 0.34
Q4 1 0.8857 0.4964 0.3415 11.00000 0.05 0.33
Q5 1 0.9677 0.1623 0.2550 11.00000 0.05 0.33
Q6 1 0.6364 0.5207 0.3544 11.00000 0.05 0.32
Q7 1 0.2977 0.2657 0.0499 11.00000 0.05 0.32
Q8 1 0.6531 0.0342 0.1834 11.00000 0.05 0.31
Q9 1 0.9427 0.1970 0.3398 11.00000 0.05 0.30
Q10 1 0.8539 0.6251 0.2276 11.00000 0.05 0.30
Q11 1 0.8568 0.1904 0.2617 11.00000 0.05 0.30
Q12 1 1.1188 0.2242 0.2848 11.00000 0.05 0.30
Q13 1 0.4465 0.3049 0.1210 11.00000 0.05 0.29
Q14 1 1.0045 0.6165 0.2259 11.00000 0.05 0.28
Q15 1 1.0709 0.7150 0.2159 11.00000 0.05 0.28
Q16 1 1.0600 0.1916 0.4177 11.00000 0.05 0.28
Q17 1 0.4373 0.0974 0.1012 11.00000 0.05 0.28
Q18 1 0.7346 0.6438 0.2374 11.00000 0.05 0.27
Q19 1 0.5776 0.3289 0.1409 11.00000 0.05 0.27
Q20 1 0.5058 0.2168 0.1432 11.00000 0.05 0.27
;

#----------------------------------------------------------------------------#
# ATOMIC TYPES, COORDINATES AND THERMAL PARAMETERS #
#----------------------------------------------------------------------------#

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 0 '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 0.006 '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'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.734630(14) 0.404431(13) 0.203075(11) 0.01364(5) Uani 1 1 d . . .
Cl1 Cl 0.74841(6) 0.33583(5) 0.02017(4) 0.02491(10) Uani 1 1 d . . .
C1 C 0.5736(2) 0.5050(2) 0.39102(18) 0.0284(4) Uani 1 1 d . . .
H1A H 0.606 0.4429 0.4408 0.043 Uiso 1 1 calc R . .
H1B H 0.4718 0.4592 0.3316 0.043 Uiso 1 1 calc R . .
H1C H 0.5651 0.5934 0.4342 0.043 Uiso 1 1 calc R . .
C2 C 0.6933(2) 0.53499(19) 0.33935(15) 0.0201(4) Uani 1 1 d . . .
C3 C 0.6631(2) 0.60042(18) 0.24844(15) 0.0201(4) Uani 1 1 d . . .
H3 H 0.5652 0.6258 0.2189 0.024 Uiso 1 1 calc R . .
C4 C 0.7765(2) 0.62794(18) 0.20192(15) 0.0186(3) Uani 1 1 d . . .
H4 H 0.7504 0.6639 0.137 0.022 Uiso 1 1 calc R . .
C5 C 0.9316(2) 0.60313(18) 0.25009(15) 0.0181(3) Uani 1 1 d . . .
C6 C 0.9616(2) 0.53892(18) 0.33881(14) 0.0186(3) Uani 1 1 d . . .
H6 H 1.0626 0.5212 0.3727 0.022 Uiso 1 1 calc R . .
C7 C 0.8409(2) 0.49913(19) 0.37968(15) 0.0207(4) Uani 1 1 d . . .
H7 H 0.8607 0.4472 0.4354 0.025 Uiso 1 1 calc R . .
C8 C 1.0495(2) 0.64233(19) 0.19840(16) 0.0209(4) Uani 1 1 d . . .
H8 H 0.9964 0.6069 0.1152 0.025 Uiso 1 1 calc R . .
C9 C 1.0987(2) 0.8028(2) 0.22517(18) 0.0283(4) Uani 1 1 d . . .
H9A H 1.0054 0.8425 0.2019 0.043 Uiso 1 1 calc R . .
H9B H 1.1657 0.8287 0.1847 0.043 Uiso 1 1 calc R . .
H9C H 1.1566 0.8399 0.306 0.043 Uiso 1 1 calc R . .
C10 C 1.1934(2) 0.5794(2) 0.2351(2) 0.0329(5) Uani 1 1 d . . .
H10A H 1.2503 0.6156 0.3162 0.049 Uiso 1 1 calc R . .
H10B H 1.2617 0.6052 0.1956 0.049 Uiso 1 1 calc R . .
H10C H 1.1609 0.4767 0.2173 0.049 Uiso 1 1 calc R . .
C11 C 0.51237(19) 0.28446(18) 0.13394(14) 0.0168(3) Uani 1 1 d . . .
C12 C 0.3723(2) 0.3269(2) 0.08619(15) 0.0210(4) Uani 1 1 d . . .
H12 H 0.3749 0.4227 0.0849 0.025 Uiso 1 1 calc R . .
C13 C 0.2291(2) 0.2306(2) 0.04053(16) 0.0254(4) Uani 1 1 d . . .
H13 H 0.1352 0.2626 0.0119 0.03 Uiso 1 1 calc R . .
C14 C 0.2217(2) 0.0890(2) 0.03621(16) 0.0265(4) Uani 1 1 d . . .
H14 H 0.1238 0.0239 0.0018 0.032 Uiso 1 1 calc R . .
C15 C 0.3575(2) 0.0428(2) 0.08222(16) 0.0233(4) Uani 1 1 d . . .
H15 H 0.3534 -0.0541 0.0802 0.028 Uiso 1 1 calc R . .
C16 C 0.50062(19) 0.13988(18) 0.13173(14) 0.0175(3) Uani 1 1 d . . .
C17 C 0.6484(2) 0.10105(18) 0.18529(14) 0.0178(3) Uani 1 1 d . . .
C18 C 0.6566(2) -0.04687(19) 0.19298(17) 0.0243(4) Uani 1 1 d . . .
H18A H 0.7653 -0.0572 0.2126 0.036 Uiso 1 1 calc R . .
H18B H 0.5914 -0.1119 0.1205 0.036 Uiso 1 1 calc R . .
H18C H 0.6185 -0.0683 0.2508 0.036 Uiso 1 1 calc R . .
N19 N 0.76897(16) 0.20615(15) 0.22579(12) 0.0165(3) Uani 1 1 d . . .
C20 C 0.9226(2) 0.18738(18) 0.28632(15) 0.0188(4) Uani 1 1 d . . .
C21 C 1.0352(2) 0.19686(19) 0.23887(16) 0.0209(4) Uani 1 1 d . . .
H21 H 1.01 0.2152 0.1667 0.025 Uiso 1 1 calc R . .
C22 C 1.1852(2) 0.17974(19) 0.29617(16) 0.0228(4) Uani 1 1 d . . .
H22 H 1.2619 0.1855 0.2632 0.027 Uiso 1 1 calc R . .
C23 C 1.2214(2) 0.15416(19) 0.40197(16) 0.0241(4) Uani 1 1 d . . .
C24 C 1.1101(2) 0.1483(2) 0.45083(16) 0.0271(4) Uani 1 1 d . . .
H24 H 1.1362 0.1331 0.524 0.033 Uiso 1 1 calc R . .
C25 C 0.9612(2) 0.1645(2) 0.39309(16) 0.0240(4) Uani 1 1 d . . .
H25 H 0.885 0.16 0.4266 0.029 Uiso 1 1 calc R . .
O26 O 1.36538(16) 0.13355(16) 0.46436(12) 0.0338(3) Uani 1 1 d . . .
C27 C 1.4729(2) 0.1155(3) 0.4094(2) 0.0389(5) Uani 1 1 d . . .
H27A H 1.4253 0.0354 0.3437 0.058 Uiso 1 1 calc R . .
H27B H 1.5686 0.0979 0.4612 0.058 Uiso 1 1 calc R . .
H27C H 1.4987 0.2008 0.3855 0.058 Uiso 1 1 calc R . .


loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Ru1 0.01547(8) 0.01138(8) 0.01311(8) 0.00312(5) 0.00397(5) 0.00315(5)
Cl1 0.0380(3) 0.0184(2) 0.0185(2) 0.00213(17) 0.01352(19) 0.00257(18)
C1 0.0299(10) 0.0267(10) 0.0311(11) 0.0023(8) 0.0184(9) 0.0022(8)
C2 0.0231(9) 0.0155(9) 0.0194(9) -0.0019(7) 0.0100(7) 0.0005(7)
C3 0.0223(8) 0.0124(8) 0.0252(9) 0.0017(7) 0.0092(7) 0.0055(7)
C4 0.0234(9) 0.0114(8) 0.0201(9) 0.0041(7) 0.0066(7) 0.0039(7)
C5 0.0203(8) 0.0114(8) 0.0193(9) 0.0002(7) 0.0064(7) 0.0001(6)
C6 0.0181(8) 0.0184(9) 0.0143(8) 0.0000(7) 0.0025(7) 0.0021(7)
C7 0.0241(9) 0.0191(9) 0.0142(8) 0.0020(7) 0.0041(7) 0.0004(7)
C8 0.0232(9) 0.0195(9) 0.0208(9) 0.0048(7) 0.0099(7) 0.0030(7)
C9 0.0273(10) 0.0209(10) 0.0374(12) 0.0084(8) 0.0146(9) -0.0009(8)
C10 0.0322(11) 0.0349(12) 0.0449(13) 0.0175(10) 0.0243(10) 0.0140(9)
C11 0.0183(8) 0.0174(8) 0.0139(8) 0.0024(7) 0.0056(6) 0.0037(6)
C12 0.0227(9) 0.0216(9) 0.0177(9) 0.0051(7) 0.0055(7) 0.0067(7)
C13 0.0184(9) 0.0362(11) 0.0201(9) 0.0071(8) 0.0051(7) 0.0069(8)
C14 0.0176(8) 0.0314(11) 0.0248(10) 0.0016(8) 0.0069(7) -0.0032(7)
C15 0.0246(9) 0.0184(9) 0.0258(10) 0.0026(7) 0.0114(8) -0.0003(7)
C16 0.0190(8) 0.0165(9) 0.0173(8) 0.0029(7) 0.0083(7) 0.0028(7)
C17 0.0224(8) 0.0159(8) 0.0179(8) 0.0047(7) 0.0104(7) 0.0051(7)
C18 0.0282(9) 0.0150(9) 0.0326(11) 0.0079(8) 0.0137(8) 0.0058(7)
N19 0.0184(7) 0.0153(7) 0.0170(7) 0.0058(6) 0.0064(6) 0.0052(6)
C20 0.0209(8) 0.0134(8) 0.0210(9) 0.0054(7) 0.0052(7) 0.0055(7)
C21 0.0220(9) 0.0186(9) 0.0220(9) 0.0065(7) 0.0066(7) 0.0061(7)
C22 0.0201(9) 0.0197(9) 0.0283(10) 0.0052(8) 0.0083(8) 0.0062(7)
C23 0.0225(9) 0.0167(9) 0.0275(10) 0.0038(7) 0.0019(8) 0.0078(7)
C24 0.0333(10) 0.0273(10) 0.0199(9) 0.0090(8) 0.0049(8) 0.0120(8)
C25 0.0269(9) 0.0248(10) 0.0235(10) 0.0081(8) 0.0101(8) 0.0106(8)
O26 0.0264(7) 0.0383(9) 0.0325(8) 0.0099(7) 0.0016(6) 0.0164(6)
C27 0.0234(10) 0.0385(13) 0.0563(15) 0.0210(11) 0.0099(10) 0.0119(9)



#----------------------------------------------------------------------------#
# MOLECULAR GEOMETRY #
#----------------------------------------------------------------------------#

_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 C11 2.0411(17) . ?
Ru1 N19 2.0916(14) . ?
Ru1 C7 2.1441(17) . ?
Ru1 C2 2.1796(17) . ?
Ru1 C3 2.1837(17) . ?
Ru1 C4 2.1988(17) . ?
Ru1 C6 2.2817(17) . ?
Ru1 C5 2.3253(17) . ?
Ru1 Cl1 2.4149(5) . ?
C1 C2 1.508(2) . ?
C1 H1A 0.98 . ?
C1 H1B 0.98 . ?
C1 H1C 0.98 . ?
C2 C7 1.416(3) . ?
C2 C3 1.421(3) . ?
C3 C4 1.404(2) . ?
C3 H3 0.95 . ?
C4 C5 1.442(2) . ?
C4 H4 0.95 . ?
C5 C6 1.389(3) . ?
C5 C8 1.512(2) . ?
C6 C7 1.435(2) . ?
C6 H6 0.95 . ?
C7 H7 0.95 . ?
C8 C10 1.523(3) . ?
C8 C9 1.532(3) . ?
C8 H8 1 . ?
C9 H9A 0.98 . ?
C9 H9B 0.98 . ?
C9 H9C 0.98 . ?
C10 H10A 0.98 . ?
C10 H10B 0.98 . ?
C10 H10C 0.98 . ?
C11 C12 1.401(2) . ?
C11 C16 1.416(2) . ?
C12 C13 1.394(3) . ?
C12 H12 0.95 . ?
C13 C14 1.385(3) . ?
C13 H13 0.95 . ?
C14 C15 1.384(3) . ?
C14 H14 0.95 . ?
C15 C16 1.397(2) . ?
C15 H15 0.95 . ?
C16 C17 1.457(2) . ?
C17 N19 1.302(2) . ?
C17 C18 1.498(2) . ?
C18 H18A 0.98 . ?
C18 H18B 0.98 . ?
C18 H18C 0.98 . ?
N19 C20 1.438(2) . ?
C20 C21 1.386(2) . ?
C20 C25 1.389(3) . ?
C21 C22 1.393(2) . ?
C21 H21 0.95 . ?
C22 C23 1.389(3) . ?
C22 H22 0.95 . ?
C23 O26 1.378(2) . ?
C23 C24 1.387(3) . ?
C24 C25 1.384(3) . ?
C24 H24 0.95 . ?
C25 H25 0.95 . ?
O26 C27 1.427(3) . ?
C27 H27A 0.98 . ?
C27 H27B 0.98 . ?
C27 H27C 0.98 . ?


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
C11 Ru1 N19 77.26(6) . . ?
C11 Ru1 C7 120.84(7) . . ?
N19 Ru1 C7 92.34(6) . . ?
C11 Ru1 C2 94.12(7) . . ?
N19 Ru1 C2 114.36(6) . . ?
C7 Ru1 C2 38.21(7) . . ?
C11 Ru1 C3 94.66(7) . . ?
N19 Ru1 C3 151.37(6) . . ?
C7 Ru1 C3 68.03(7) . . ?
C2 Ru1 C3 38.01(7) . . ?
C11 Ru1 C4 120.15(7) . . ?
N19 Ru1 C4 162.55(6) . . ?
C7 Ru1 C4 79.71(7) . . ?
C2 Ru1 C4 68.18(7) . . ?
C3 Ru1 C4 37.36(6) . . ?
C11 Ru1 C6 158.48(7) . . ?
N19 Ru1 C6 98.90(6) . . ?
C7 Ru1 C6 37.68(6) . . ?
C2 Ru1 C6 67.88(6) . . ?
C3 Ru1 C6 78.52(6) . . ?
C4 Ru1 C6 65.40(6) . . ?
C11 Ru1 C5 157.01(7) . . ?
N19 Ru1 C5 125.51(6) . . ?
C7 Ru1 C5 66.37(7) . . ?
C2 Ru1 C5 79.72(6) . . ?
C3 Ru1 C5 66.84(6) . . ?
C4 Ru1 C5 37.04(6) . . ?
C6 Ru1 C5 35.08(6) . . ?
C11 Ru1 Cl1 86.87(5) . . ?
N19 Ru1 Cl1 88.27(4) . . ?
C7 Ru1 Cl1 151.71(5) . . ?
C2 Ru1 Cl1 157.03(5) . . ?
C3 Ru1 Cl1 119.02(5) . . ?
C4 Ru1 Cl1 91.50(5) . . ?
C6 Ru1 Cl1 114.36(5) . . ?
C5 Ru1 Cl1 90.46(5) . . ?
C2 C1 H1A 109.5 . . ?
C2 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
C2 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C7 C2 C3 117.19(16) . . ?
C7 C2 C1 121.23(17) . . ?
C3 C2 C1 121.58(17) . . ?
C7 C2 Ru1 69.54(10) . . ?
C3 C2 Ru1 71.15(10) . . ?
C1 C2 Ru1 130.27(13) . . ?
C4 C3 C2 120.63(16) . . ?
C4 C3 Ru1 71.91(10) . . ?
C2 C3 Ru1 70.84(10) . . ?
C4 C3 H3 119.7 . . ?
C2 C3 H3 119.7 . . ?
Ru1 C3 H3 130.2 . . ?
C3 C4 C5 121.76(16) . . ?
C3 C4 Ru1 70.73(10) . . ?
C5 C4 Ru1 76.25(10) . . ?
C3 C4 H4 119.1 . . ?
C5 C4 H4 119.1 . . ?
Ru1 C4 H4 125.7 . . ?
C6 C5 C4 117.59(16) . . ?
C6 C5 C8 123.87(16) . . ?
C4 C5 C8 118.48(16) . . ?
C6 C5 Ru1 70.74(10) . . ?
C4 C5 Ru1 66.71(9) . . ?
C8 C5 Ru1 131.93(12) . . ?
C5 C6 C7 120.41(16) . . ?
C5 C6 Ru1 74.18(10) . . ?
C7 C6 Ru1 65.96(9) . . ?
C5 C6 H6 119.8 . . ?
C7 C6 H6 119.8 . . ?
Ru1 C6 H6 133.2 . . ?
C2 C7 C6 121.91(16) . . ?
C2 C7 Ru1 72.25(10) . . ?
C6 C7 Ru1 76.36(10) . . ?
C2 C7 H7 119 . . ?
C6 C7 H7 119 . . ?
Ru1 C7 H7 123.8 . . ?
C5 C8 C10 114.05(15) . . ?
C5 C8 C9 109.25(15) . . ?
C10 C8 C9 110.03(16) . . ?
C5 C8 H8 107.8 . . ?
C10 C8 H8 107.8 . . ?
C9 C8 H8 107.8 . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C8 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C8 C10 H10A 109.5 . . ?
C8 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C8 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C12 C11 C16 116.71(16) . . ?
C12 C11 Ru1 128.08(13) . . ?
C16 C11 Ru1 115.18(12) . . ?
C13 C12 C11 121.00(17) . . ?
C13 C12 H12 119.5 . . ?
C11 C12 H12 119.5 . . ?
C14 C13 C12 120.97(17) . . ?
C14 C13 H13 119.5 . . ?
C12 C13 H13 119.5 . . ?
C15 C14 C13 119.76(17) . . ?
C15 C14 H14 120.1 . . ?
C13 C14 H14 120.1 . . ?
C14 C15 C16 119.34(17) . . ?
C14 C15 H15 120.3 . . ?
C16 C15 H15 120.3 . . ?
C15 C16 C11 122.13(16) . . ?
C15 C16 C17 122.95(16) . . ?
C11 C16 C17 114.91(15) . . ?
N19 C17 C16 113.79(15) . . ?
N19 C17 C18 124.31(16) . . ?
C16 C17 C18 121.89(15) . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C17 N19 C20 120.93(15) . . ?
C17 N19 Ru1 118.69(12) . . ?
C20 N19 Ru1 120.38(11) . . ?
C21 C20 C25 119.63(16) . . ?
C21 C20 N19 119.48(16) . . ?
C25 C20 N19 120.85(16) . . ?
C20 C21 C22 120.51(17) . . ?
C20 C21 H21 119.7 . . ?
C22 C21 H21 119.7 . . ?
C23 C22 C21 119.32(17) . . ?
C23 C22 H22 120.3 . . ?
C21 C22 H22 120.3 . . ?
O26 C23 C24 116.13(17) . . ?
O26 C23 C22 123.60(18) . . ?
C24 C23 C22 120.26(17) . . ?
C25 C24 C23 120.06(18) . . ?
C25 C24 H24 120 . . ?
C23 C24 H24 120 . . ?
C24 C25 C20 120.19(18) . . ?
C24 C25 H25 119.9 . . ?
C20 C25 H25 119.9 . . ?
C23 O26 C27 117.24(16) . . ?
O26 C27 H27A 109.5 . . ?
O26 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
O26 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 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
C11 Ru1 C2 C7 137.69(11) . . . . ?
N19 Ru1 C2 C7 59.82(11) . . . . ?
C3 Ru1 C2 C7 -130.00(15) . . . . ?
C4 Ru1 C2 C7 -101.40(11) . . . . ?
C6 Ru1 C2 C7 -30.14(10) . . . . ?
C5 Ru1 C2 C7 -64.65(11) . . . . ?
Cl1 Ru1 C2 C7 -130.62(12) . . . . ?
C11 Ru1 C2 C3 -92.31(11) . . . . ?
N19 Ru1 C2 C3 -170.18(10) . . . . ?
C7 Ru1 C2 C3 130.00(15) . . . . ?
C4 Ru1 C2 C3 28.60(10) . . . . ?
C6 Ru1 C2 C3 99.86(11) . . . . ?
C5 Ru1 C2 C3 65.36(10) . . . . ?
Cl1 Ru1 C2 C3 -0.62(19) . . . . ?
C11 Ru1 C2 C1 23.54(18) . . . . ?
N19 Ru1 C2 C1 -54.33(19) . . . . ?
C7 Ru1 C2 C1 -114.2(2) . . . . ?
C3 Ru1 C2 C1 115.8(2) . . . . ?
C4 Ru1 C2 C1 144.45(19) . . . . ?
C6 Ru1 C2 C1 -144.29(19) . . . . ?
C5 Ru1 C2 C1 -178.80(19) . . . . ?
Cl1 Ru1 C2 C1 115.23(17) . . . . ?
C7 C2 C3 C4 -0.2(3) . . . . ?
C1 C2 C3 C4 179.71(16) . . . . ?
Ru1 C2 C3 C4 -54.00(15) . . . . ?
C7 C2 C3 Ru1 53.79(14) . . . . ?
C1 C2 C3 Ru1 -126.29(17) . . . . ?
C11 Ru1 C3 C4 -136.36(11) . . . . ?
N19 Ru1 C3 C4 151.84(12) . . . . ?
C7 Ru1 C3 C4 102.19(11) . . . . ?
C2 Ru1 C3 C4 132.92(16) . . . . ?
C6 Ru1 C3 C4 64.28(11) . . . . ?
C5 Ru1 C3 C4 29.50(10) . . . . ?
Cl1 Ru1 C3 C4 -47.36(11) . . . . ?
C11 Ru1 C3 C2 90.72(11) . . . . ?
N19 Ru1 C3 C2 18.92(18) . . . . ?
C7 Ru1 C3 C2 -30.73(10) . . . . ?
C4 Ru1 C3 C2 -132.92(16) . . . . ?
C6 Ru1 C3 C2 -68.64(10) . . . . ?
C5 Ru1 C3 C2 -103.41(11) . . . . ?
Cl1 Ru1 C3 C2 179.72(8) . . . . ?
C2 C3 C4 C5 -5.7(3) . . . . ?
Ru1 C3 C4 C5 -59.17(15) . . . . ?
C2 C3 C4 Ru1 53.51(15) . . . . ?
C11 Ru1 C4 C3 52.70(12) . . . . ?
N19 Ru1 C4 C3 -131.05(19) . . . . ?
C7 Ru1 C4 C3 -67.11(11) . . . . ?
C2 Ru1 C4 C3 -29.07(11) . . . . ?
C6 Ru1 C4 C3 -103.83(12) . . . . ?
C5 Ru1 C4 C3 -131.27(16) . . . . ?
Cl1 Ru1 C4 C3 139.95(10) . . . . ?
C11 Ru1 C4 C5 -176.03(10) . . . . ?
N19 Ru1 C4 C5 0.2(3) . . . . ?
C7 Ru1 C4 C5 64.16(11) . . . . ?
C2 Ru1 C4 C5 102.20(11) . . . . ?
C3 Ru1 C4 C5 131.27(16) . . . . ?
C6 Ru1 C4 C5 27.44(10) . . . . ?
Cl1 Ru1 C4 C5 -88.78(10) . . . . ?
C3 C4 C5 C6 5.6(3) . . . . ?
Ru1 C4 C5 C6 -50.94(15) . . . . ?
C3 C4 C5 C8 -176.98(16) . . . . ?
Ru1 C4 C5 C8 126.46(15) . . . . ?
C3 C4 C5 Ru1 56.56(15) . . . . ?
C11 Ru1 C5 C6 142.01(16) . . . . ?
N19 Ru1 C5 C6 -46.72(13) . . . . ?
C7 Ru1 C5 C6 28.35(10) . . . . ?
C2 Ru1 C5 C6 65.95(11) . . . . ?
C3 Ru1 C5 C6 103.45(12) . . . . ?
C4 Ru1 C5 C6 133.20(16) . . . . ?
Cl1 Ru1 C5 C6 -134.93(10) . . . . ?
C11 Ru1 C5 C4 8.8(2) . . . . ?
N19 Ru1 C5 C4 -179.92(9) . . . . ?
C7 Ru1 C5 C4 -104.85(12) . . . . ?
C2 Ru1 C5 C4 -67.25(11) . . . . ?
C3 Ru1 C5 C4 -29.74(10) . . . . ?
C6 Ru1 C5 C4 -133.20(16) . . . . ?
Cl1 Ru1 C5 C4 91.87(10) . . . . ?
C11 Ru1 C5 C8 -99.3(2) . . . . ?
N19 Ru1 C5 C8 71.95(18) . . . . ?
C7 Ru1 C5 C8 147.02(18) . . . . ?
C2 Ru1 C5 C8 -175.38(17) . . . . ?
C3 Ru1 C5 C8 -137.87(18) . . . . ?
C4 Ru1 C5 C8 -108.1(2) . . . . ?
C6 Ru1 C5 C8 118.7(2) . . . . ?
Cl1 Ru1 C5 C8 -16.26(16) . . . . ?
C4 C5 C6 C7 0.2(2) . . . . ?
C8 C5 C6 C7 -177.07(16) . . . . ?
Ru1 C5 C6 C7 -48.90(15) . . . . ?
C4 C5 C6 Ru1 49.07(14) . . . . ?
C8 C5 C6 Ru1 -128.18(16) . . . . ?
C11 Ru1 C6 C5 -139.05(17) . . . . ?
N19 Ru1 C6 C5 143.14(10) . . . . ?
C7 Ru1 C6 C5 -134.63(16) . . . . ?
C2 Ru1 C6 C5 -104.09(12) . . . . ?
C3 Ru1 C6 C5 -65.84(11) . . . . ?
C4 Ru1 C6 C5 -28.88(10) . . . . ?
Cl1 Ru1 C6 C5 51.00(11) . . . . ?
C11 Ru1 C6 C7 -4.4(2) . . . . ?
N19 Ru1 C6 C7 -82.22(11) . . . . ?
C2 Ru1 C6 C7 30.54(11) . . . . ?
C3 Ru1 C6 C7 68.79(11) . . . . ?
C4 Ru1 C6 C7 105.76(12) . . . . ?
C5 Ru1 C6 C7 134.63(16) . . . . ?
Cl1 Ru1 C6 C7 -174.37(9) . . . . ?
C3 C2 C7 C6 6.0(3) . . . . ?
C1 C2 C7 C6 -173.91(16) . . . . ?
Ru1 C2 C7 C6 60.60(15) . . . . ?
C3 C2 C7 Ru1 -54.59(14) . . . . ?
C1 C2 C7 Ru1 125.49(16) . . . . ?
C5 C6 C7 C2 -6.1(3) . . . . ?
Ru1 C6 C7 C2 -58.63(15) . . . . ?
C5 C6 C7 Ru1 52.55(16) . . . . ?
C11 Ru1 C7 C2 -51.44(13) . . . . ?
N19 Ru1 C7 C2 -127.99(10) . . . . ?
C3 Ru1 C7 C2 30.58(10) . . . . ?
C4 Ru1 C7 C2 67.65(11) . . . . ?
C6 Ru1 C7 C2 130.45(16) . . . . ?
C5 Ru1 C7 C2 103.93(11) . . . . ?
Cl1 Ru1 C7 C2 141.32(10) . . . . ?
C11 Ru1 C7 C6 178.11(10) . . . . ?
N19 Ru1 C7 C6 101.57(11) . . . . ?
C2 Ru1 C7 C6 -130.45(16) . . . . ?
C3 Ru1 C7 C6 -99.87(11) . . . . ?
C4 Ru1 C7 C6 -62.79(11) . . . . ?
C5 Ru1 C7 C6 -26.51(10) . . . . ?
Cl1 Ru1 C7 C6 10.88(18) . . . . ?
C6 C5 C8 C10 11.9(3) . . . . ?
C4 C5 C8 C10 -165.37(17) . . . . ?
Ru1 C5 C8 C10 -82.1(2) . . . . ?
C6 C5 C8 C9 -111.73(19) . . . . ?
C4 C5 C8 C9 71.1(2) . . . . ?
Ru1 C5 C8 C9 154.31(14) . . . . ?
N19 Ru1 C11 C12 178.45(17) . . . . ?
C7 Ru1 C11 C12 93.40(17) . . . . ?
C2 Ru1 C11 C12 64.39(16) . . . . ?
C3 Ru1 C11 C12 26.26(17) . . . . ?
C4 Ru1 C11 C12 -2.70(19) . . . . ?
C6 Ru1 C11 C12 96.5(2) . . . . ?
C5 Ru1 C11 C12 -8.8(3) . . . . ?
Cl1 Ru1 C11 C12 -92.62(16) . . . . ?
N19 Ru1 C11 C16 -3.51(12) . . . . ?
C7 Ru1 C11 C16 -88.56(14) . . . . ?
C2 Ru1 C11 C16 -117.57(13) . . . . ?
C3 Ru1 C11 C16 -155.70(13) . . . . ?
C4 Ru1 C11 C16 175.33(12) . . . . ?
C6 Ru1 C11 C16 -85.4(2) . . . . ?
C5 Ru1 C11 C16 169.21(14) . . . . ?
Cl1 Ru1 C11 C16 85.42(12) . . . . ?
C16 C11 C12 C13 0.9(3) . . . . ?
Ru1 C11 C12 C13 178.91(13) . . . . ?
C11 C12 C13 C14 -3.1(3) . . . . ?
C12 C13 C14 C15 2.9(3) . . . . ?
C13 C14 C15 C16 -0.5(3) . . . . ?
C14 C15 C16 C11 -1.7(3) . . . . ?
C14 C15 C16 C17 177.95(17) . . . . ?
C12 C11 C16 C15 1.5(3) . . . . ?
Ru1 C11 C16 C15 -176.78(14) . . . . ?
C12 C11 C16 C17 -178.20(15) . . . . ?
Ru1 C11 C16 C17 3.53(19) . . . . ?
C15 C16 C17 N19 179.52(16) . . . . ?
C11 C16 C17 N19 -0.8(2) . . . . ?
C15 C16 C17 C18 -1.2(3) . . . . ?
C11 C16 C17 C18 178.46(16) . . . . ?
C16 C17 N19 C20 176.86(15) . . . . ?
C18 C17 N19 C20 -2.4(3) . . . . ?
C16 C17 N19 Ru1 -2.3(2) . . . . ?
C18 C17 N19 Ru1 178.45(13) . . . . ?
C11 Ru1 N19 C17 3.30(13) . . . . ?
C7 Ru1 N19 C17 124.42(14) . . . . ?
C2 Ru1 N19 C17 92.06(14) . . . . ?
C3 Ru1 N19 C17 79.40(18) . . . . ?
C4 Ru1 N19 C17 -173.38(18) . . . . ?
C6 Ru1 N19 C17 161.73(13) . . . . ?
C5 Ru1 N19 C17 -173.22(12) . . . . ?
Cl1 Ru1 N19 C17 -83.88(13) . . . . ?
C11 Ru1 N19 C20 -175.88(14) . . . . ?
C7 Ru1 N19 C20 -54.76(13) . . . . ?
C2 Ru1 N19 C20 -87.11(13) . . . . ?
C3 Ru1 N19 C20 -99.78(17) . . . . ?
C4 Ru1 N19 C20 7.4(3) . . . . ?
C6 Ru1 N19 C20 -17.45(13) . . . . ?
C5 Ru1 N19 C20 7.61(15) . . . . ?
Cl1 Ru1 N19 C20 96.94(12) . . . . ?
C17 N19 C20 C21 110.7(2) . . . . ?
Ru1 N19 C20 C21 -70.09(19) . . . . ?
C17 N19 C20 C25 -71.4(2) . . . . ?
Ru1 N19 C20 C25 107.77(17) . . . . ?
C25 C20 C21 C22 1.8(3) . . . . ?
N19 C20 C21 C22 179.68(16) . . . . ?
C20 C21 C22 C23 -0.5(3) . . . . ?
C21 C22 C23 O26 178.91(17) . . . . ?
C21 C22 C23 C24 -1.2(3) . . . . ?
O26 C23 C24 C25 -178.50(18) . . . . ?
C22 C23 C24 C25 1.6(3) . . . . ?
C23 C24 C25 C20 -0.3(3) . . . . ?
C21 C20 C25 C24 -1.4(3) . . . . ?
N19 C20 C25 C24 -179.25(17) . . . . ?
C24 C23 O26 C27 169.74(18) . . . . ?
C22 C23 O26 C27 -10.3(3) . . . . ?