#------------------------------------------------------------------------------
#$Date: 2016-03-25 12:21:42 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179812 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/08/7010825.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7010825
loop_
_publ_author_name
'Standfest-Hauser, Christina'
'Slugovc, Christian'
'Mereiter, Kurt'
'Schmid, Roland'
'Kirchner, Karl'
'Xiao, Li'
'Weissensteiner, Walter'
_publ_contact_author
;
Kurt Mereiter
Institute of Mineralogy, Crystallography and Structural Chemistry
Vienna University of Technology
Getreidemarkt 9
A-1060 Vienna
Austria
;
_publ_section_title
;
 Hydrogen-transfer catalyzed by half-sandwich Ru(ii) aminophosphine
 complexesElectronic supplementary information (ESI) available:
 experimental details and NMR data for 1c and 2c. See
 http://www.rsc.org/suppdata/dt/b1/b104128m/
;
_journal_issue                   20
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              2989
_journal_paper_doi               10.1039/b104128m
_journal_year                    2001
_chemical_formula_moiety         'C31 H33 Br Fe N P Ru , C H Cl3'
_chemical_formula_sum            'C32 H34 Br Cl3 Fe N P Ru'
_chemical_formula_weight         806.75
_chemical_name_systematic
; 
[(RRu, RC, Spl)-bromo-(eta$5!-cyclopentadienyl)-(2-(1-N,N-dimethylaminoethyl)-
1-diphenylphosphino-ferrocene-N,P)-ruthenium(ii)] chloroform solvate
;
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 109.67(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.542(6)
_cell_length_b                   34.54(2)
_cell_length_c                   10.164(6)
_cell_measurement_reflns_used    6220
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      27.6
_cell_measurement_theta_min      2.3
_cell_volume                     3154(3)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT, SADABS and XPREP'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      223(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type
'Bruker SMART 3-circle with CCD area detector'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.050
_diffrn_reflns_av_sigmaI/netI    0.057
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       40
_diffrn_reflns_limit_k_min       -40
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            31779
_diffrn_reflns_theta_full        24.91
_diffrn_reflns_theta_max         24.91
_diffrn_reflns_theta_min         2.13
_exptl_absorpt_coefficient_mu    2.534
_exptl_absorpt_correction_T_max  0.694
_exptl_absorpt_correction_T_min  0.411
_exptl_absorpt_correction_type
'semi-empirical from equivalents (prg. SADABS)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.699
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1616
_exptl_crystal_size_max          0.72
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.918
_refine_diff_density_min         -0.701
_refine_diff_density_rms         0.096
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.016(8)
_refine_ls_extinction_coef       0.00053(16)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.004
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     722
_refine_ls_number_reflns         10891
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.004
_refine_ls_R_factor_all          0.0489
_refine_ls_R_factor_gt           0.0425
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0621P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0991
_refine_ls_wR_factor_ref         0.1018
_reflns_number_gt                9756
_reflns_number_total             10891
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b104128m.txt
_cod_data_source_block           kiqf514
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        3155(3)
_cod_original_sg_symbol_H-M      P2(1)
_cod_database_code               7010825
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z'
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
Ru Ru 0.76427(6) 0.420002(14) 0.41534(6) 0.02216(13) Uani 1 1 d . . .
Br Br 0.54520(8) 0.462849(18) 0.42452(8) 0.03127(17) Uani 1 1 d . . .
Fe Fe 0.52866(11) 0.36019(3) 0.73552(10) 0.0271(2) Uani 1 1 d . . .
P P 0.65673(17) 0.36308(4) 0.44629(17) 0.0184(3) Uani 1 1 d . . .
N N 0.8681(6) 0.42956(15) 0.6490(6) 0.0259(12) Uani 1 1 d . . .
C1 C 0.7624(7) 0.4225(2) 0.7301(7) 0.0246(14) Uani 1 1 d . . .
H1 H 0.6662 0.4343 0.6740 0.029 Uiso 1 1 calc R . .
C2 C 0.8065(10) 0.4415(2) 0.8724(8) 0.044(2) Uani 1 1 d . . .
H2A H 0.8258 0.4688 0.8635 0.066 Uiso 1 1 calc R . .
H2B H 0.8956 0.4293 0.9346 0.066 Uiso 1 1 calc R . .
H2C H 0.7263 0.4388 0.9103 0.066 Uiso 1 1 calc R . .
C3 C 1.0041(8) 0.4053(2) 0.7103(9) 0.0425(19) Uani 1 1 d . . .
H3A H 0.9766 0.3782 0.7008 0.064 Uiso 1 1 calc R . .
H3B H 1.0503 0.4116 0.8084 0.064 Uiso 1 1 calc R . .
H3C H 1.0737 0.4104 0.6614 0.064 Uiso 1 1 calc R . .
C4 C 0.9145(8) 0.4706(2) 0.6644(8) 0.0396(19) Uani 1 1 d . . .
H4A H 0.8280 0.4870 0.6250 0.059 Uiso 1 1 calc R . .
H4B H 0.9847 0.4751 0.6157 0.059 Uiso 1 1 calc R . .
H4C H 0.9614 0.4766 0.7627 0.059 Uiso 1 1 calc R . .
C11 C 0.3950(10) 0.4074(2) 0.7126(12) 0.057(3) Uani 1 1 d . . .
H11 H 0.4226 0.4332 0.7034 0.068 Uiso 1 1 calc R . .
C12 C 0.3319(9) 0.3808(4) 0.6042(10) 0.063(3) Uani 1 1 d . . .
H12 H 0.3097 0.3854 0.5082 0.076 Uiso 1 1 calc R . .
C13 C 0.3084(10) 0.3467(3) 0.6639(13) 0.069(3) Uani 1 1 d . . .
H13 H 0.2661 0.3243 0.6135 0.082 Uiso 1 1 calc R . .
C14 C 0.3540(11) 0.3497(3) 0.8039(13) 0.070(3) Uani 1 1 d . . .
H14 H 0.3498 0.3299 0.8660 0.084 Uiso 1 1 calc R . .
C15 C 0.4090(9) 0.3872(3) 0.8418(10) 0.051(2) Uani 1 1 d . . .
H15 H 0.4473 0.3973 0.9329 0.062 Uiso 1 1 calc R . .
C21 C 0.7322(7) 0.37974(18) 0.7390(7) 0.0216(13) Uani 1 1 d . . .
C22 C 0.6727(7) 0.35221(18) 0.6268(7) 0.0222(14) Uani 1 1 d . . .
C23 C 0.6479(8) 0.3162(2) 0.6849(8) 0.0317(16) Uani 1 1 d . . .
H23 H 0.6090 0.2936 0.6348 0.038 Uiso 1 1 calc R . .
C24 C 0.6936(9) 0.3211(2) 0.8349(8) 0.0384(18) Uani 1 1 d . . .
H24 H 0.6905 0.3021 0.9002 0.046 Uiso 1 1 calc R . .
C25 C 0.7433(8) 0.3593(2) 0.8646(7) 0.0333(17) Uani 1 1 d . . .
H25 H 0.7791 0.3701 0.9547 0.040 Uiso 1 1 calc R . .
C31 C 0.9178(10) 0.3967(2) 0.3189(9) 0.045(2) Uani 1 1 d . . .
H31 H 0.9702 0.3734 0.3466 0.054 Uiso 1 1 calc R . .
C32 C 0.9679(10) 0.4340(2) 0.3715(10) 0.048(2) Uani 1 1 d . . .
H32 H 1.0596 0.4394 0.4409 0.058 Uiso 1 1 calc R . .
C33 C 0.8576(9) 0.4621(2) 0.3026(9) 0.044(2) Uani 1 1 d . . .
H33 H 0.8639 0.4890 0.3162 0.053 Uiso 1 1 calc R . .
C34 C 0.7358(10) 0.4409(2) 0.2090(8) 0.0384(19) Uani 1 1 d . . .
H34 H 0.6453 0.4517 0.1518 0.046 Uiso 1 1 calc R . .
C35 C 0.7739(10) 0.4008(2) 0.2167(9) 0.044(2) Uani 1 1 d . . .
H35 H 0.7148 0.3807 0.1638 0.052 Uiso 1 1 calc R . .
C41 C 0.4626(7) 0.35249(19) 0.3409(7) 0.0264(15) Uani 1 1 d . . .
C42 C 0.3826(8) 0.37842(19) 0.2395(7) 0.0304(16) Uani 1 1 d . . .
H42 H 0.4276 0.4013 0.2235 0.036 Uiso 1 1 calc R . .
C43 C 0.2352(9) 0.3703(2) 0.1616(9) 0.049(2) Uani 1 1 d . . .
H43 H 0.1821 0.3876 0.0909 0.059 Uiso 1 1 calc R . .
C44 C 0.1662(9) 0.3380(3) 0.1854(10) 0.050(2) Uani 1 1 d . . .
H44 H 0.0651 0.3338 0.1349 0.059 Uiso 1 1 calc R . .
C45 C 0.2450(8) 0.3114(3) 0.2841(9) 0.045(2) Uani 1 1 d . . .
H45 H 0.1979 0.2889 0.3001 0.053 Uiso 1 1 calc R . .
C46 C 0.3932(8) 0.3181(2) 0.3592(8) 0.0350(17) Uani 1 1 d . . .
H46 H 0.4481 0.2994 0.4230 0.042 Uiso 1 1 calc R . .
C51 C 0.7518(8) 0.32087(18) 0.4026(7) 0.0259(15) Uani 1 1 d . . .
C52 C 0.8849(7) 0.30766(19) 0.4960(8) 0.0296(16) Uani 1 1 d . . .
H52 H 0.9214 0.3187 0.5857 0.036 Uiso 1 1 calc R . .
C53 C 0.9654(9) 0.2788(2) 0.4609(10) 0.044(2) Uani 1 1 d . . .
H53 H 1.0545 0.2699 0.5270 0.053 Uiso 1 1 calc R . .
C54 C 0.9150(9) 0.2628(2) 0.3277(10) 0.043(2) Uani 1 1 d . . .
H54 H 0.9689 0.2429 0.3033 0.052 Uiso 1 1 calc R . .
C55 C 0.7849(10) 0.2764(2) 0.2321(9) 0.044(2) Uani 1 1 d . . .
H55 H 0.7513 0.2661 0.1412 0.053 Uiso 1 1 calc R . .
C56 C 0.7028(10) 0.3050(2) 0.2676(8) 0.0370(18) Uani 1 1 d . . .
H56 H 0.6139 0.3138 0.2012 0.044 Uiso 1 1 calc R . .
Ru' Ru 0.45347(6) 0.673811(13) 0.46829(5) 0.02108(13) Uani 1 1 d . . .
Br' Br 0.65713(8) 0.721884(19) 0.44747(8) 0.03342(18) Uani 1 1 d . . .
Fe' Fe 0.72811(10) 0.59650(3) 0.20979(10) 0.0250(2) Uani 1 1 d . . .
P' P 0.58227(18) 0.61735(4) 0.48144(17) 0.0203(3) Uani 1 1 d . . .
N' N 0.3652(5) 0.67117(16) 0.2320(6) 0.0244(12) Uani 1 1 d . . .
C1' C 0.4834(7) 0.66123(18) 0.1667(7) 0.0236(14) Uani 1 1 d . . .
H1' H 0.5744 0.6757 0.2197 0.028 Uiso 1 1 calc R . .
C2' C 0.4430(8) 0.6733(2) 0.0135(7) 0.0369(17) Uani 1 1 d . . .
H2'A H 0.4185 0.7006 0.0042 0.055 Uiso 1 1 calc R . .
H2'B H 0.3580 0.6583 -0.0431 0.055 Uiso 1 1 calc R . .
H2'C H 0.5270 0.6685 -0.0177 0.055 Uiso 1 1 calc R . .
C3' C 0.2364(7) 0.6457(2) 0.1784(8) 0.0328(17) Uani 1 1 d . . .
H3'A H 0.1633 0.6523 0.2219 0.049 Uiso 1 1 calc R . .
H3'B H 0.2674 0.6191 0.1998 0.049 Uiso 1 1 calc R . .
H3'C H 0.1928 0.6489 0.0780 0.049 Uiso 1 1 calc R . .
C4' C 0.3082(8) 0.7113(2) 0.1869(8) 0.0347(17) Uani 1 1 d . . .
H4'A H 0.3894 0.7297 0.2196 0.052 Uiso 1 1 calc R . .
H4'B H 0.2316 0.7178 0.2262 0.052 Uiso 1 1 calc R . .
H4'C H 0.2668 0.7124 0.0857 0.052 Uiso 1 1 calc R . .
C11' C 0.8607(9) 0.6410(2) 0.1936(11) 0.052(2) Uani 1 1 d . . .
H11' H 0.8308 0.6670 0.1777 0.063 Uiso 1 1 calc R . .
C12' C 0.9219(9) 0.6219(4) 0.3282(10) 0.064(3) Uani 1 1 d . . .
H12' H 0.9396 0.6330 0.4168 0.077 Uiso 1 1 calc R . .
C13' C 0.9476(10) 0.5854(4) 0.3005(14) 0.071(3) Uani 1 1 d . . .
H13' H 0.9862 0.5663 0.3690 0.085 Uiso 1 1 calc R . .
C14' C 0.9123(11) 0.5794(3) 0.1650(16) 0.075(4) Uani 1 1 d . . .
H14' H 0.9239 0.5560 0.1230 0.090 Uiso 1 1 calc R . .
C15' C 0.8553(10) 0.6135(4) 0.0944(10) 0.066(3) Uani 1 1 d . . .
H15' H 0.8197 0.6171 -0.0029 0.079 Uiso 1 1 calc R . .
C21' C 0.5783(7) 0.59769(17) 0.3154(6) 0.0191(13) Uani 1 1 d . . .
C22' C 0.5219(7) 0.61870(17) 0.1852(6) 0.0192(13) Uani 1 1 d . . .
C23' C 0.5159(7) 0.59179(18) 0.0752(7) 0.0248(14) Uani 1 1 d . . .
H23' H 0.4833 0.5975 -0.0208 0.030 Uiso 1 1 calc R . .
C24' C 0.5671(8) 0.55538(19) 0.1350(8) 0.0305(16) Uani 1 1 d . . .
H24' H 0.5751 0.5329 0.0861 0.037 Uiso 1 1 calc R . .
C25' C 0.6043(7) 0.55876(18) 0.2815(8) 0.0271(16) Uani 1 1 d . . .
H25' H 0.6404 0.5386 0.3463 0.032 Uiso 1 1 calc R . .
C31' C 0.2921(9) 0.6521(2) 0.5609(9) 0.040(2) Uani 1 1 d . . .
H31' H 0.2488 0.6274 0.5411 0.048 Uiso 1 1 calc R . .
C32' C 0.2358(9) 0.6872(2) 0.4913(9) 0.0375(19) Uani 1 1 d . . .
H32' H 0.1453 0.6896 0.4170 0.045 Uiso 1 1 calc R . .
C33' C 0.3343(8) 0.7182(2) 0.5488(9) 0.0381(19) Uani 1 1 d . . .
H33' H 0.3213 0.7442 0.5201 0.046 Uiso 1 1 calc R . .
C34' C 0.4578(9) 0.7023(2) 0.6592(8) 0.0384(19) Uani 1 1 d . . .
H34' H 0.5420 0.7159 0.7152 0.046 Uiso 1 1 calc R . .
C35' C 0.4297(11) 0.6622(2) 0.6684(9) 0.048(2) Uani 1 1 d . . .
H35' H 0.4912 0.6449 0.7344 0.057 Uiso 1 1 calc R . .
C41' C 0.7779(7) 0.61360(19) 0.5960(7) 0.0241(14) Uani 1 1 d . . .
C42' C 0.8502(9) 0.6456(2) 0.6687(8) 0.0386(18) Uani 1 1 d . . .
H42' H 0.7969 0.6688 0.6635 0.046 Uiso 1 1 calc R . .
C43' C 1.0015(9) 0.6444(3) 0.7502(9) 0.053(2) Uani 1 1 d . . .
H43' H 1.0511 0.6667 0.7951 0.063 Uiso 1 1 calc R . .
C44' C 1.0767(9) 0.6093(2) 0.7631(9) 0.048(2) Uani 1 1 d . . .
H44' H 1.1766 0.6074 0.8213 0.058 Uiso 1 1 calc R . .
C45' C 1.0054(9) 0.5775(2) 0.6911(8) 0.043(2) Uani 1 1 d . . .
H45' H 1.0580 0.5542 0.6970 0.052 Uiso 1 1 calc R . .
C46' C 0.8567(8) 0.5792(2) 0.6097(8) 0.0384(18) Uani 1 1 d . . .
H46' H 0.8085 0.5569 0.5633 0.046 Uiso 1 1 calc R . .
C51' C 0.4993(8) 0.57740(18) 0.5485(7) 0.0272(15) Uani 1 1 d . . .
C52' C 0.3689(8) 0.55923(19) 0.4636(8) 0.0285(16) Uani 1 1 d . . .
H52' H 0.3282 0.5663 0.3691 0.034 Uiso 1 1 calc R . .
C53' C 0.2987(9) 0.5311(2) 0.5158(9) 0.0381(19) Uani 1 1 d . . .
H53' H 0.2119 0.5191 0.4569 0.046 Uiso 1 1 calc R . .
C54' C 0.3565(11) 0.5209(2) 0.6539(10) 0.049(2) Uani 1 1 d . . .
H54' H 0.3076 0.5021 0.6895 0.059 Uiso 1 1 calc R . .
C55' C 0.4825(11) 0.5374(3) 0.7398(9) 0.051(2) Uani 1 1 d . . .
H55' H 0.5210 0.5298 0.8340 0.061 Uiso 1 1 calc R . .
C56' C 0.5563(10) 0.5659(2) 0.6889(8) 0.0388(19) Uani 1 1 d . . .
H56' H 0.6439 0.5773 0.7491 0.047 Uiso 1 1 calc R . .
C1S C 0.2615(8) 0.4979(2) 0.1137(8) 0.0319(17) Uani 1 1 d . . .
H1S H 0.3520 0.5040 0.1939 0.038 Uiso 1 1 calc R . .
Cl1 Cl 0.1317(2) 0.47491(6) 0.1749(2) 0.0471(5) Uani 1 1 d . . .
Cl2 Cl 0.3104(2) 0.46785(6) -0.0047(2) 0.0459(5) Uani 1 1 d . . .
Cl3 Cl 0.1838(2) 0.54150(6) 0.0279(3) 0.0540(6) Uani 1 1 d . . .
C2S C 0.8253(11) 0.7604(3) 0.0313(10) 0.056(2) Uani 1 1 d . . .
H2S H 0.7617 0.7793 -0.0357 0.067 Uiso 1 1 calc R . .
Cl4 Cl 0.7366(4) 0.74723(8) 0.1519(4) 0.0905(10) Uani 1 1 d . . .
Cl5 Cl 0.8530(4) 0.71976(8) -0.0622(3) 0.0790(8) Uani 1 1 d . . .
Cl6 Cl 0.9944(3) 0.78198(8) 0.1199(3) 0.0787(8) Uani 1 1 d . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Fe Fe 0.3463 0.8444 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.2901 2.4595 '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_
_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
C34 Ru C35 38.8(3) . . ?
C34 Ru C31 64.3(3) . . ?
C35 Ru C31 38.4(3) . . ?
C34 Ru C32 63.6(3) . . ?
C35 Ru C32 63.7(3) . . ?
C31 Ru C32 37.8(3) . . ?
C34 Ru C33 38.2(3) . . ?
C35 Ru C33 64.3(3) . . ?
C31 Ru C33 63.9(3) . . ?
C32 Ru C33 37.9(3) . . ?
C34 Ru N 147.2(3) . . ?
C35 Ru N 152.1(3) . . ?
C31 Ru N 113.8(3) . . ?
C32 Ru N 94.4(3) . . ?
C33 Ru N 109.6(3) . . ?
C34 Ru P 120.6(2) . . ?
C35 Ru P 91.5(2) . . ?
C31 Ru P 98.4(2) . . ?
C32 Ru P 133.4(2) . . ?
C33 Ru P 155.8(2) . . ?
N Ru P 92.25(14) . . ?
C34 Ru Br 90.2(2) . . ?
C35 Ru Br 119.9(2) . . ?
C31 Ru Br 154.6(2) . . ?
C32 Ru Br 131.6(2) . . ?
C33 Ru Br 96.5(2) . . ?
N Ru Br 87.27(14) . . ?
P Ru Br 94.67(6) . . ?
C25 Fe C12 160.0(4) . . ?
C25 Fe C13 157.8(4) . . ?
C12 Fe C13 39.6(4) . . ?
C25 Fe C11 122.9(4) . . ?
C12 Fe C11 40.4(4) . . ?
C13 Fe C11 67.1(4) . . ?
C25 Fe C14 122.7(4) . . ?
C12 Fe C14 66.8(5) . . ?
C13 Fe C14 38.5(4) . . ?
C11 Fe C14 68.3(4) . . ?
C25 Fe C15 106.7(3) . . ?
C12 Fe C15 68.3(4) . . ?
C13 Fe C15 66.4(4) . . ?
C11 Fe C15 41.8(4) . . ?
C14 Fe C15 40.2(4) . . ?
C25 Fe C21 41.1(3) . . ?
C12 Fe C21 123.9(4) . . ?
C13 Fe C21 160.6(4) . . ?
C11 Fe C21 107.0(3) . . ?
C14 Fe C21 158.7(4) . . ?
C15 Fe C21 122.4(3) . . ?
C25 Fe C22 68.4(3) . . ?
C12 Fe C22 109.4(3) . . ?
C13 Fe C22 125.1(4) . . ?
C11 Fe C22 123.6(3) . . ?
C14 Fe C22 158.5(4) . . ?
C15 Fe C22 160.3(3) . . ?
C21 Fe C22 41.4(2) . . ?
C25 Fe C24 40.1(3) . . ?
C12 Fe C24 159.4(4) . . ?
C13 Fe C24 123.5(4) . . ?
C11 Fe C24 157.9(4) . . ?
C14 Fe C24 107.0(4) . . ?
C15 Fe C24 120.7(4) . . ?
C21 Fe C24 69.2(3) . . ?
C22 Fe C24 68.7(3) . . ?
C25 Fe C23 68.2(3) . . ?
C12 Fe C23 124.0(4) . . ?
C13 Fe C23 109.4(4) . . ?
C11 Fe C23 159.7(4) . . ?
C14 Fe C23 122.4(4) . . ?
C15 Fe C23 157.1(3) . . ?
C21 Fe C23 69.3(3) . . ?
C22 Fe C23 40.6(3) . . ?
C24 Fe C23 41.1(3) . . ?
C22 P C41 105.7(3) . . ?
C22 P C51 101.4(3) . . ?
C41 P C51 100.5(3) . . ?
C22 P Ru 115.1(2) . . ?
C41 P Ru 120.1(2) . . ?
C51 P Ru 111.4(2) . . ?
C4 N C3 107.8(6) . . ?
C4 N C1 109.0(5) . . ?
C3 N C1 109.0(5) . . ?
C4 N Ru 105.1(4) . . ?
C3 N Ru 111.5(4) . . ?
C1 N Ru 114.1(4) . . ?
C2 C1 C21 111.3(6) . . ?
C2 C1 N 115.2(6) . . ?
C21 C1 N 111.3(5) . . ?
C2 C1 H1 106.1 . . ?
C21 C1 H1 106.1 . . ?
N C1 H1 106.1 . . ?
C1 C2 H2A 109.5 . . ?
C1 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
C1 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
N C3 H3A 109.5 . . ?
N C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
N C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
N C4 H4A 109.5 . . ?
N C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
N C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C12 C11 C15 106.2(8) . . ?
C12 C11 Fe 69.6(5) . . ?
C15 C11 Fe 69.4(4) . . ?
C12 C11 H11 126.9 . . ?
C15 C11 H11 126.9 . . ?
Fe C11 H11 125.7 . . ?
C13 C12 C11 107.7(9) . . ?
C13 C12 Fe 70.3(6) . . ?
C11 C12 Fe 70.0(5) . . ?
C13 C12 H12 126.1 . . ?
C11 C12 H12 126.1 . . ?
Fe C12 H12 125.2 . . ?
C14 C13 C12 111.0(9) . . ?
C14 C13 Fe 71.1(6) . . ?
C12 C13 Fe 70.1(5) . . ?
C14 C13 H13 124.5 . . ?
C12 C13 H13 124.5 . . ?
Fe C13 H13 125.9 . . ?
C13 C14 C15 108.6(10) . . ?
C13 C14 Fe 70.4(5) . . ?
C15 C14 Fe 69.9(5) . . ?
C13 C14 H14 125.7 . . ?
C15 C14 H14 125.7 . . ?
Fe C14 H14 125.6 . . ?
C14 C15 C11 106.5(9) . . ?
C14 C15 Fe 69.9(5) . . ?
C11 C15 Fe 68.9(4) . . ?
C14 C15 H15 126.8 . . ?
C11 C15 H15 126.8 . . ?
Fe C15 H15 126.1 . . ?
C25 C21 C22 105.7(6) . . ?
C25 C21 C1 125.2(6) . . ?
C22 C21 C1 128.8(6) . . ?
C25 C21 Fe 68.7(4) . . ?
C22 C21 Fe 69.6(3) . . ?
C1 C21 Fe 121.3(4) . . ?
C23 C22 C21 108.7(6) . . ?
C23 C22 P 128.6(5) . . ?
C21 C22 P 122.3(5) . . ?
C23 C22 Fe 70.1(4) . . ?
C21 C22 Fe 69.1(3) . . ?
P C22 Fe 131.9(3) . . ?
C22 C23 C24 107.6(6) . . ?
C22 C23 Fe 69.2(4) . . ?
C24 C23 Fe 69.4(4) . . ?
C22 C23 H23 126.2 . . ?
C24 C23 H23 126.2 . . ?
Fe C23 H23 126.7 . . ?
C25 C24 C23 107.2(6) . . ?
C25 C24 Fe 68.6(4) . . ?
C23 C24 Fe 69.5(4) . . ?
C25 C24 H24 126.4 . . ?
C23 C24 H24 126.4 . . ?
Fe C24 H24 127.0 . . ?
C24 C25 C21 110.8(6) . . ?
C24 C25 Fe 71.3(5) . . ?
C21 C25 Fe 70.1(4) . . ?
C24 C25 H25 124.6 . . ?
C21 C25 H25 124.6 . . ?
Fe C25 H25 125.5 . . ?
C32 C31 C35 107.9(7) . . ?
C32 C31 Ru 71.7(4) . . ?
C35 C31 Ru 70.2(4) . . ?
C32 C31 H31 126.1 . . ?
C35 C31 H31 126.1 . . ?
Ru C31 H31 123.6 . . ?
C31 C32 C33 109.5(8) . . ?
C31 C32 Ru 70.5(4) . . ?
C33 C32 Ru 72.0(4) . . ?
C31 C32 H32 125.3 . . ?
C33 C32 H32 125.3 . . ?
Ru C32 H32 123.8 . . ?
C32 C33 C34 106.2(7) . . ?
C32 C33 Ru 70.1(4) . . ?
C34 C33 Ru 68.3(4) . . ?
C32 C33 H33 126.9 . . ?
C34 C33 H33 126.9 . . ?
Ru C33 H33 126.2 . . ?
C35 C34 C33 108.9(8) . . ?
C35 C34 Ru 70.9(4) . . ?
C33 C34 Ru 73.4(4) . . ?
C35 C34 H34 125.6 . . ?
C33 C34 H34 125.6 . . ?
Ru C34 H34 121.7 . . ?
C31 C35 C34 107.5(7) . . ?
C31 C35 Ru 71.4(4) . . ?
C34 C35 Ru 70.3(4) . . ?
C31 C35 H35 126.2 . . ?
C34 C35 H35 126.2 . . ?
Ru C35 H35 123.7 . . ?
C42 C41 C46 118.7(6) . . ?
C42 C41 P 120.0(5) . . ?
C46 C41 P 121.3(5) . . ?
C41 C42 C43 119.5(7) . . ?
C41 C42 H42 120.3 . . ?
C43 C42 H42 120.3 . . ?
C44 C43 C42 121.4(8) . . ?
C44 C43 H43 119.3 . . ?
C42 C43 H43 119.3 . . ?
C43 C44 C45 119.9(7) . . ?
C43 C44 H44 120.1 . . ?
C45 C44 H44 120.1 . . ?
C44 C45 C46 119.8(8) . . ?
C44 C45 H45 120.1 . . ?
C46 C45 H45 120.1 . . ?
C45 C46 C41 120.5(7) . . ?
C45 C46 H46 119.7 . . ?
C41 C46 H46 119.7 . . ?
C52 C51 C56 118.0(6) . . ?
C52 C51 P 120.5(5) . . ?
C56 C51 P 120.9(6) . . ?
C53 C52 C51 121.7(7) . . ?
C53 C52 H52 119.2 . . ?
C51 C52 H52 119.2 . . ?
C52 C53 C54 120.0(8) . . ?
C52 C53 H53 120.0 . . ?
C54 C53 H53 120.0 . . ?
C55 C54 C53 119.0(7) . . ?
C55 C54 H54 120.5 . . ?
C53 C54 H54 120.5 . . ?
C54 C55 C56 121.1(7) . . ?
C54 C55 H55 119.5 . . ?
C56 C55 H55 119.5 . . ?
C55 C56 C51 120.2(8) . . ?
C55 C56 H56 119.9 . . ?
C51 C56 H56 119.9 . . ?
C35' Ru' C34' 38.4(3) . . ?
C35' Ru' C31' 38.7(3) . . ?
C34' Ru' C31' 64.8(3) . . ?
C35' Ru' C32' 62.6(3) . . ?
C34' Ru' C32' 63.0(3) . . ?
C31' Ru' C32' 37.5(3) . . ?
C35' Ru' C33' 63.4(3) . . ?
C34' Ru' C33' 38.2(3) . . ?
C31' Ru' C33' 63.7(3) . . ?
C32' Ru' C33' 37.2(3) . . ?
C35' Ru' N' 150.8(3) . . ?
C34' Ru' N' 149.1(3) . . ?
C31' Ru' N' 112.2(3) . . ?
C32' Ru' N' 95.3(3) . . ?
C33' Ru' N' 111.4(3) . . ?
C35' Ru' P' 90.6(2) . . ?
C34' Ru' P' 119.2(2) . . ?
C31' Ru' P' 97.1(2) . . ?
C32' Ru' P' 132.57(19) . . ?
C33' Ru' P' 154.0(2) . . ?
N' Ru' P' 91.63(14) . . ?
C35' Ru' Br' 120.7(2) . . ?
C34' Ru' Br' 89.6(2) . . ?
C31' Ru' Br' 154.2(2) . . ?
C32' Ru' Br' 128.62(19) . . ?
C33' Ru' Br' 94.5(2) . . ?
N' Ru' Br' 87.77(13) . . ?
P' Ru' Br' 98.44(7) . . ?
C13' Fe' C11' 66.6(4) . . ?
C13' Fe' C23' 159.4(5) . . ?
C11' Fe' C23' 120.8(3) . . ?
C13' Fe' C12' 38.3(4) . . ?
C11' Fe' C12' 41.9(4) . . ?
C23' Fe' C12' 159.0(4) . . ?
C13' Fe' C15' 65.9(4) . . ?
C11' Fe' C15' 39.4(4) . . ?
C23' Fe' C15' 106.7(3) . . ?
C12' Fe' C15' 67.5(4) . . ?
C13' Fe' C24' 124.9(4) . . ?
C11' Fe' C24' 155.1(4) . . ?
C23' Fe' C24' 40.5(3) . . ?
C12' Fe' C24' 160.1(4) . . ?
C15' Fe' C24' 120.4(4) . . ?
C13' Fe' C14' 37.9(5) . . ?
C11' Fe' C14' 66.1(4) . . ?
C23' Fe' C14' 124.3(5) . . ?
C12' Fe' C14' 65.0(5) . . ?
C15' Fe' C14' 39.8(4) . . ?
C24' Fe' C14' 108.2(4) . . ?
C13' Fe' C22' 158.9(5) . . ?
C11' Fe' C22' 107.8(3) . . ?
C23' Fe' C22' 41.3(2) . . ?
C12' Fe' C22' 123.8(4) . . ?
C15' Fe' C22' 123.8(4) . . ?
C24' Fe' C22' 69.1(3) . . ?
C14' Fe' C22' 160.6(5) . . ?
C13' Fe' C25' 110.5(4) . . ?
C11' Fe' C25' 163.4(4) . . ?
C23' Fe' C25' 68.0(3) . . ?
C12' Fe' C25' 125.5(4) . . ?
C15' Fe' C25' 156.0(4) . . ?
C24' Fe' C25' 40.4(3) . . ?
C14' Fe' C25' 122.5(4) . . ?
C22' Fe' C25' 68.7(2) . . ?
C13' Fe' C21' 124.1(4) . . ?
C11' Fe' C21' 126.0(3) . . ?
C23' Fe' C21' 69.1(3) . . ?
C12' Fe' C21' 109.6(3) . . ?
C15' Fe' C21' 161.4(4) . . ?
C24' Fe' C21' 68.9(3) . . ?
C14' Fe' C21' 157.3(4) . . ?
C22' Fe' C21' 41.2(2) . . ?
C25' Fe' C21' 40.8(2) . . ?
C21' P' C51' 100.9(3) . . ?
C21' P' C41' 105.2(3) . . ?
C51' P' C41' 100.6(3) . . ?
C21' P' Ru' 115.1(2) . . ?
C51' P' Ru' 111.9(2) . . ?
C41' P' Ru' 120.5(2) . . ?
C3' N' C4' 105.6(5) . . ?
C3' N' C1' 110.8(5) . . ?
C4' N' C1' 108.6(5) . . ?
C3' N' Ru' 112.7(4) . . ?
C4' N' Ru' 104.7(4) . . ?
C1' N' Ru' 113.9(4) . . ?
C22' C1' N' 110.4(5) . . ?
C22' C1' C2' 111.0(6) . . ?
N' C1' C2' 114.3(5) . . ?
C22' C1' H1' 106.9 . . ?
N' C1' H1' 106.9 . . ?
C2' C1' H1' 106.9 . . ?
C1' C2' H2'A 109.5 . . ?
C1' C2' H2'B 109.5 . . ?
H2'A C2' H2'B 109.5 . . ?
C1' C2' H2'C 109.5 . . ?
H2'A C2' H2'C 109.5 . . ?
H2'B C2' H2'C 109.5 . . ?
N' C3' H3'A 109.5 . . ?
N' C3' H3'B 109.5 . . ?
H3'A C3' H3'B 109.5 . . ?
N' C3' H3'C 109.5 . . ?
H3'A C3' H3'C 109.5 . . ?
H3'B C3' H3'C 109.5 . . ?
N' C4' H4'A 109.5 . . ?
N' C4' H4'B 109.5 . . ?
H4'A C4' H4'B 109.5 . . ?
N' C4' H4'C 109.5 . . ?
H4'A C4' H4'C 109.5 . . ?
H4'B C4' H4'C 109.5 . . ?
C15' C11' C12' 106.3(9) . . ?
C15' C11' Fe' 70.5(5) . . ?
C12' C11' Fe' 69.1(5) . . ?
C15' C11' H11' 126.8 . . ?
C12' C11' H11' 126.8 . . ?
Fe' C11' H11' 125.1 . . ?
C13' C12' C11' 106.0(9) . . ?
C13' C12' Fe' 70.3(6) . . ?
C11' C12' Fe' 69.0(5) . . ?
C13' C12' H12' 127.0 . . ?
C11' C12' H12' 127.0 . . ?
Fe' C12' H12' 125.3 . . ?
C14' C13' C12' 111.6(11) . . ?
C14' C13' Fe' 72.1(6) . . ?
C12' C13' Fe' 71.3(5) . . ?
C14' C13' H13' 124.2 . . ?
C12' C13' H13' 124.2 . . ?
Fe' C13' H13' 123.9 . . ?
C13' C14' C15' 108.9(10) . . ?
C13' C14' Fe' 70.1(5) . . ?
C15' C14' Fe' 69.7(5) . . ?
C13' C14' H14' 125.6 . . ?
C15' C14' H14' 125.6 . . ?
Fe' C14' H14' 126.2 . . ?
C11' C15' C14' 107.2(9) . . ?
C11' C15' Fe' 70.1(5) . . ?
C14' C15' Fe' 70.4(5) . . ?
C11' C15' H15' 126.4 . . ?
C14' C15' H15' 126.4 . . ?
Fe' C15' H15' 124.7 . . ?
C25' C21' C22' 107.0(6) . . ?
C25' C21' P' 128.9(5) . . ?
C22' C21' P' 123.4(4) . . ?
C25' C21' Fe' 69.4(4) . . ?
C22' C21' Fe' 69.0(3) . . ?
P' C21' Fe' 134.0(3) . . ?
C23' C22' C21' 107.0(5) . . ?
C23' C22' C1' 125.9(6) . . ?
C21' C22' C1' 127.0(5) . . ?
C23' C22' Fe' 68.8(4) . . ?
C21' C22' Fe' 69.8(3) . . ?
C1' C22' Fe' 124.3(4) . . ?
C24' C23' C22' 108.9(6) . . ?
C24' C23' Fe' 70.1(4) . . ?
C22' C23' Fe' 69.9(4) . . ?
C24' C23' H23' 125.6 . . ?
C22' C23' H23' 125.6 . . ?
Fe' C23' H23' 126.1 . . ?
C23' C24' C25' 107.9(6) . . ?
C23' C24' Fe' 69.4(4) . . ?
C25' C24' Fe' 70.1(4) . . ?
C23' C24' H24' 126.0 . . ?
C25' C24' H24' 126.0 . . ?
Fe' C24' H24' 126.0 . . ?
C24' C25' C21' 109.2(6) . . ?
C24' C25' Fe' 69.5(4) . . ?
C21' C25' Fe' 69.9(4) . . ?
C24' C25' H25' 125.4 . . ?
C21' C25' H25' 125.4 . . ?
Fe' C25' H25' 126.9 . . ?
C32' C31' C35' 105.5(7) . . ?
C32' C31' Ru' 72.2(4) . . ?
C35' C31' Ru' 69.5(4) . . ?
C32' C31' H31' 127.2 . . ?
C35' C31' H31' 127.2 . . ?
Ru' C31' H31' 122.8 . . ?
C33' C32' C31' 110.7(7) . . ?
C33' C32' Ru' 71.6(4) . . ?
C31' C32' Ru' 70.3(4) . . ?
C33' C32' H32' 124.6 . . ?
C31' C32' H32' 124.6 . . ?
Ru' C32' H32' 125.0 . . ?
C32' C33' C34' 106.9(7) . . ?
C32' C33' Ru' 71.2(4) . . ?
C34' C33' Ru' 68.7(4) . . ?
C32' C33' H33' 126.5 . . ?
C34' C33' H33' 126.5 . . ?
Ru' C33' H33' 125.1 . . ?
C35' C34' C33' 107.5(7) . . ?
C35' C34' Ru' 70.7(4) . . ?
C33' C34' Ru' 73.1(4) . . ?
C35' C34' H34' 126.3 . . ?
C33' C34' H34' 126.3 . . ?
Ru' C34' H34' 121.7 . . ?
C34' C35' C31' 109.3(8) . . ?
C34' C35' Ru' 71.0(4) . . ?
C31' C35' Ru' 71.8(4) . . ?
C34' C35' H35' 125.3 . . ?
C31' C35' H35' 125.3 . . ?
Ru' C35' H35' 123.5 . . ?
C42' C41' C46' 118.4(6) . . ?
C42' C41' P' 120.0(5) . . ?
C46' C41' P' 121.6(5) . . ?
C41' C42' C43' 121.5(7) . . ?
C41' C42' H42' 119.3 . . ?
C43' C42' H42' 119.3 . . ?
C44' C43' C42' 118.5(8) . . ?
C44' C43' H43' 120.7 . . ?
C42' C43' H43' 120.7 . . ?
C45' C44' C43' 120.1(7) . . ?
C45' C44' H44' 120.0 . . ?
C43' C44' H44' 120.0 . . ?
C44' C45' C46' 120.8(7) . . ?
C44' C45' H45' 119.6 . . ?
C46' C45' H45' 119.6 . . ?
C45' C46' C41' 120.6(7) . . ?
C45' C46' H46' 119.7 . . ?
C41' C46' H46' 119.7 . . ?
C52' C51' C56' 117.4(6) . . ?
C52' C51' P' 120.9(5) . . ?
C56' C51' P' 121.6(5) . . ?
C53' C52' C51' 121.5(7) . . ?
C53' C52' H52' 119.2 . . ?
C51' C52' H52' 119.2 . . ?
C54' C53' C52' 119.6(8) . . ?
C54' C53' H53' 120.2 . . ?
C52' C53' H53' 120.2 . . ?
C55' C54' C53' 121.1(7) . . ?
C55' C54' H54' 119.5 . . ?
C53' C54' H54' 119.5 . . ?
C54' C55' C56' 120.3(8) . . ?
C54' C55' H55' 119.8 . . ?
C56' C55' H55' 119.8 . . ?
C51' C56' C55' 120.1(8) . . ?
C51' C56' H56' 120.0 . . ?
C55' C56' H56' 120.0 . . ?
Cl1 C1S Cl2 110.8(4) . . ?
Cl1 C1S Cl3 109.3(4) . . ?
Cl2 C1S Cl3 109.1(4) . . ?
Cl1 C1S H1S 109.2 . . ?
Cl2 C1S H1S 109.2 . . ?
Cl3 C1S H1S 109.2 . . ?
Cl6 C2S Cl5 109.9(5) . . ?
Cl6 C2S Cl4 109.3(5) . . ?
Cl5 C2S Cl4 111.3(5) . . ?
Cl6 C2S H2S 108.8 . . ?
Cl5 C2S H2S 108.8 . . ?
Cl4 C2S H2S 108.8 . . ?
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
Ru C34 2.147(7) . ?
Ru C35 2.156(8) . ?
Ru C31 2.172(7) . ?
Ru C32 2.189(7) . ?
Ru C33 2.214(7) . ?
Ru N 2.269(6) . ?
Ru P 2.2880(19) . ?
Ru Br 2.5885(14) . ?
Fe C25 2.027(7) . ?
Fe C12 2.031(9) . ?
Fe C13 2.033(9) . ?
Fe C11 2.036(8) . ?
Fe C14 2.042(8) . ?
Fe C15 2.043(8) . ?
Fe C21 2.045(6) . ?
Fe C22 2.052(6) . ?
Fe C24 2.063(8) . ?
Fe C23 2.063(7) . ?
P C22 1.828(6) . ?
P C41 1.838(7) . ?
P C51 1.849(6) . ?
N C4 1.478(9) . ?
N C3 1.493(9) . ?
N C1 1.522(8) . ?
C1 C2 1.514(9) . ?
C1 C21 1.514(9) . ?
C1 H1 0.9900 . ?
C2 H2A 0.9700 . ?
C2 H2B 0.9700 . ?
C2 H2C 0.9700 . ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?
C3 H3C 0.9700 . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C4 H4C 0.9700 . ?
C11 C12 1.406(14) . ?
C11 C15 1.454(13) . ?
C11 H11 0.9400 . ?
C12 C13 1.378(15) . ?
C12 H12 0.9400 . ?
C13 C14 1.344(15) . ?
C13 H13 0.9400 . ?
C14 C15 1.404(14) . ?
C14 H14 0.9400 . ?
C15 H15 0.9400 . ?
C21 C25 1.431(10) . ?
C21 C22 1.446(9) . ?
C22 C23 1.429(9) . ?
C23 C24 1.448(11) . ?
C23 H23 0.9400 . ?
C24 C25 1.402(11) . ?
C24 H24 0.9400 . ?
C25 H25 0.9400 . ?
C31 C32 1.413(12) . ?
C31 C35 1.422(12) . ?
C31 H31 0.9400 . ?
C32 C33 1.430(12) . ?
C32 H32 0.9400 . ?
C33 C34 1.430(12) . ?
C33 H33 0.9400 . ?
C34 C35 1.429(11) . ?
C34 H34 0.9400 . ?
C35 H35 0.9400 . ?
C41 C42 1.385(10) . ?
C41 C46 1.403(10) . ?
C42 C43 1.391(10) . ?
C42 H42 0.9400 . ?
C43 C44 1.358(12) . ?
C43 H43 0.9400 . ?
C44 C45 1.381(12) . ?
C44 H44 0.9400 . ?
C45 C46 1.382(11) . ?
C45 H45 0.9400 . ?
C46 H46 0.9400 . ?
C51 C52 1.382(10) . ?
C51 C56 1.403(10) . ?
C52 C53 1.378(10) . ?
C52 H52 0.9400 . ?
C53 C54 1.389(12) . ?
C53 H53 0.9400 . ?
C54 C55 1.377(12) . ?
C54 H54 0.9400 . ?
C55 C56 1.381(11) . ?
C55 H55 0.9400 . ?
C56 H56 0.9400 . ?
Ru' C35' 2.159(8) . ?
Ru' C34' 2.164(7) . ?
Ru' C31' 2.190(7) . ?
Ru' C32' 2.216(7) . ?
Ru' C33' 2.222(7) . ?
Ru' N' 2.264(6) . ?
Ru' P' 2.285(2) . ?
Ru' Br' 2.6184(14) . ?
Fe' C13' 2.021(9) . ?
Fe' C11' 2.032(8) . ?
Fe' C23' 2.033(7) . ?
Fe' C12' 2.034(9) . ?
Fe' C15' 2.037(8) . ?
Fe' C24' 2.042(7) . ?
Fe' C14' 2.046(8) . ?
Fe' C22' 2.047(6) . ?
Fe' C25' 2.051(6) . ?
Fe' C21' 2.057(6) . ?
P' C21' 1.808(6) . ?
P' C51' 1.833(7) . ?
P' C41' 1.842(7) . ?
N' C3' 1.459(9) . ?
N' C4' 1.504(8) . ?
N' C1' 1.528(8) . ?
C1' C22' 1.511(9) . ?
C1' C2' 1.530(9) . ?
C1' H1' 0.9900 . ?
C2' H2'A 0.9700 . ?
C2' H2'B 0.9700 . ?
C2' H2'C 0.9700 . ?
C3' H3'A 0.9700 . ?
C3' H3'B 0.9700 . ?
C3' H3'C 0.9700 . ?
C4' H4'A 0.9700 . ?
C4' H4'B 0.9700 . ?
C4' H4'C 0.9700 . ?
C11' C15' 1.373(14) . ?
C11' C12' 1.453(14) . ?
C11' H11' 0.9400 . ?
C12' C13' 1.332(15) . ?
C12' H12' 0.9400 . ?
C13' C14' 1.320(16) . ?
C13' H13' 0.9400 . ?
C14' C15' 1.391(15) . ?
C14' H14' 0.9400 . ?
C15' H15' 0.9400 . ?
C21' C25' 1.431(8) . ?
C21' C22' 1.445(9) . ?
C22' C23' 1.440(9) . ?
C23' C24' 1.410(10) . ?
C23' H23' 0.9400 . ?
C24' C25' 1.414(10) . ?
C24' H24' 0.9400 . ?
C25' H25' 0.9400 . ?
C31' C32' 1.415(11) . ?
C31' C35' 1.440(12) . ?
C31' H31' 0.9400 . ?
C32' C33' 1.414(11) . ?
C32' H32' 0.9400 . ?
C33' C34' 1.435(11) . ?
C33' H33' 0.9400 . ?
C34' C35' 1.420(11) . ?
C34' H34' 0.9400 . ?
C35' H35' 0.9400 . ?
C41' C42' 1.379(10) . ?
C41' C46' 1.387(10) . ?
C42' C43' 1.403(11) . ?
C42' H42' 0.9400 . ?
C43' C44' 1.392(12) . ?
C43' H43' 0.9400 . ?
C44' C45' 1.367(12) . ?
C44' H44' 0.9400 . ?
C45' C46' 1.382(11) . ?
C45' H45' 0.9400 . ?
C46' H46' 0.9400 . ?
C51' C52' 1.401(10) . ?
C51' C56' 1.402(10) . ?
C52' C53' 1.383(9) . ?
C52' H52' 0.9400 . ?
C53' C54' 1.371(12) . ?
C53' H53' 0.9400 . ?
C54' C55' 1.351(13) . ?
C54' H54' 0.9400 . ?
C55' C56' 1.407(11) . ?
C55' H55' 0.9400 . ?
C56' H56' 0.9400 . ?
C1S Cl1 1.753(8) . ?
C1S Cl2 1.767(7) . ?
C1S Cl3 1.772(7) . ?
C1S H1S 0.9900 . ?
C2S Cl6 1.730(10) . ?
C2S Cl5 1.764(10) . ?
C2S Cl4 1.767(9) . ?
C2S H2S 0.9900 . ?
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
C34 Ru P C22 -173.0(3) . . . . ?
C35 Ru P C22 159.9(3) . . . . ?
C31 Ru P C22 121.9(3) . . . . ?
C32 Ru P C22 105.7(4) . . . . ?
C33 Ru P C22 162.7(6) . . . . ?
N Ru P C22 7.5(3) . . . . ?
Br Ru P C22 -79.9(2) . . . . ?
C34 Ru P C41 -44.8(4) . . . . ?
C35 Ru P C41 -71.9(3) . . . . ?
C31 Ru P C41 -109.9(4) . . . . ?
C32 Ru P C41 -126.1(4) . . . . ?
C33 Ru P C41 -69.1(6) . . . . ?
N Ru P C41 135.7(3) . . . . ?
Br Ru P C41 48.3(3) . . . . ?
C34 Ru P C51 72.3(4) . . . . ?
C35 Ru P C51 45.1(4) . . . . ?
C31 Ru P C51 7.2(4) . . . . ?
C32 Ru P C51 -9.0(5) . . . . ?
C33 Ru P C51 48.0(6) . . . . ?
N Ru P C51 -107.2(3) . . . . ?
Br Ru P C51 165.3(3) . . . . ?
C34 Ru N C4 15.8(7) . . . . ?
C35 Ru N C4 97.4(6) . . . . ?
C31 Ru N C4 94.8(5) . . . . ?
C32 Ru N C4 61.1(5) . . . . ?
C33 Ru N C4 25.5(5) . . . . ?
P Ru N C4 -165.0(4) . . . . ?
Br Ru N C4 -70.4(4) . . . . ?
C34 Ru N C3 -100.8(6) . . . . ?
C35 Ru N C3 -19.2(8) . . . . ?
C31 Ru N C3 -21.8(5) . . . . ?
C32 Ru N C3 -55.5(5) . . . . ?
C33 Ru N C3 -91.1(5) . . . . ?
P Ru N C3 78.4(4) . . . . ?
Br Ru N C3 173.0(4) . . . . ?
C34 Ru N C1 135.1(5) . . . . ?
C35 Ru N C1 -143.2(6) . . . . ?
C31 Ru N C1 -145.8(4) . . . . ?
C32 Ru N C1 -179.5(4) . . . . ?
C33 Ru N C1 144.9(4) . . . . ?
P Ru N C1 -45.7(4) . . . . ?
Br Ru N C1 48.9(4) . . . . ?
C4 N C1 C2 -42.2(8) . . . . ?
C3 N C1 C2 75.3(7) . . . . ?
Ru N C1 C2 -159.3(5) . . . . ?
C4 N C1 C21 -170.1(5) . . . . ?
C3 N C1 C21 -52.6(7) . . . . ?
Ru N C1 C21 72.8(6) . . . . ?
C25 Fe C11 C12 165.0(6) . . . . ?
C13 Fe C11 C12 -37.5(6) . . . . ?
C14 Fe C11 C12 -79.3(7) . . . . ?
C15 Fe C11 C12 -117.2(8) . . . . ?
C21 Fe C11 C12 122.8(6) . . . . ?
C22 Fe C11 C12 80.5(6) . . . . ?
C24 Fe C11 C12 -161.0(8) . . . . ?
C23 Fe C11 C12 46.5(12) . . . . ?
C25 Fe C11 C15 -77.8(6) . . . . ?
C12 Fe C11 C15 117.2(8) . . . . ?
C13 Fe C11 C15 79.7(6) . . . . ?
C14 Fe C11 C15 37.9(6) . . . . ?
C21 Fe C11 C15 -120.0(5) . . . . ?
C22 Fe C11 C15 -162.3(5) . . . . ?
C24 Fe C11 C15 -43.8(11) . . . . ?
C23 Fe C11 C15 163.8(8) . . . . ?
C15 C11 C12 C13 0.3(9) . . . . ?
Fe C11 C12 C13 60.4(6) . . . . ?
C15 C11 C12 Fe -60.1(5) . . . . ?
C25 Fe C12 C13 -157.8(9) . . . . ?
C11 Fe C12 C13 -118.4(8) . . . . ?
C14 Fe C12 C13 -35.2(6) . . . . ?
C15 Fe C12 C13 -78.8(6) . . . . ?
C21 Fe C12 C13 165.9(5) . . . . ?
C22 Fe C12 C13 122.1(5) . . . . ?
C24 Fe C12 C13 41.3(12) . . . . ?
C23 Fe C12 C13 79.3(6) . . . . ?
C25 Fe C12 C11 -39.4(12) . . . . ?
C13 Fe C12 C11 118.4(8) . . . . ?
C14 Fe C12 C11 83.2(6) . . . . ?
C15 Fe C12 C11 39.6(5) . . . . ?
C21 Fe C12 C11 -75.7(6) . . . . ?
C22 Fe C12 C11 -119.5(5) . . . . ?
C24 Fe C12 C11 159.7(8) . . . . ?
C23 Fe C12 C11 -162.3(5) . . . . ?
C11 C12 C13 C14 -0.7(11) . . . . ?
Fe C12 C13 C14 59.5(7) . . . . ?
C11 C12 C13 Fe -60.2(6) . . . . ?
C25 Fe C13 C14 38.2(12) . . . . ?
C12 Fe C13 C14 -121.8(9) . . . . ?
C11 Fe C13 C14 -83.5(7) . . . . ?
C15 Fe C13 C14 -37.9(6) . . . . ?
C21 Fe C13 C14 -159.2(9) . . . . ?
C22 Fe C13 C14 160.6(6) . . . . ?
C24 Fe C13 C14 74.4(7) . . . . ?
C23 Fe C13 C14 117.9(6) . . . . ?
C25 Fe C13 C12 160.0(8) . . . . ?
C11 Fe C13 C12 38.3(6) . . . . ?
C14 Fe C13 C12 121.8(9) . . . . ?
C15 Fe C13 C12 83.9(6) . . . . ?
C21 Fe C13 C12 -37.4(13) . . . . ?
C22 Fe C13 C12 -77.6(6) . . . . ?
C24 Fe C13 C12 -163.8(5) . . . . ?
C23 Fe C13 C12 -120.3(6) . . . . ?
C12 C13 C14 C15 0.8(11) . . . . ?
Fe C13 C14 C15 59.7(7) . . . . ?
C12 C13 C14 Fe -58.9(7) . . . . ?
C25 Fe C14 C13 -163.9(6) . . . . ?
C12 Fe C14 C13 36.1(7) . . . . ?
C11 Fe C14 C13 80.0(8) . . . . ?
C15 Fe C14 C13 119.4(10) . . . . ?
C21 Fe C14 C13 161.1(9) . . . . ?
C22 Fe C14 C13 -48.0(14) . . . . ?
C24 Fe C14 C13 -122.9(7) . . . . ?
C23 Fe C14 C13 -80.6(8) . . . . ?
C25 Fe C14 C15 76.7(7) . . . . ?
C12 Fe C14 C15 -83.3(7) . . . . ?
C13 Fe C14 C15 -119.4(10) . . . . ?
C11 Fe C14 C15 -39.4(6) . . . . ?
C21 Fe C14 C15 41.7(14) . . . . ?
C22 Fe C14 C15 -167.4(8) . . . . ?
C24 Fe C14 C15 117.8(6) . . . . ?
C23 Fe C14 C15 160.1(5) . . . . ?
C13 C14 C15 C11 -0.6(10) . . . . ?
Fe C14 C15 C11 59.4(5) . . . . ?
C13 C14 C15 Fe -60.0(7) . . . . ?
C12 C11 C15 C14 0.1(9) . . . . ?
Fe C11 C15 C14 -60.1(6) . . . . ?
C12 C11 C15 Fe 60.2(5) . . . . ?
C25 Fe C15 C14 -121.2(7) . . . . ?
C12 Fe C15 C14 79.4(7) . . . . ?
C13 Fe C15 C14 36.3(7) . . . . ?
C11 Fe C15 C14 117.7(9) . . . . ?
C21 Fe C15 C14 -163.4(6) . . . . ?
C22 Fe C15 C14 166.3(9) . . . . ?
C24 Fe C15 C14 -79.8(7) . . . . ?
C23 Fe C15 C14 -47.8(12) . . . . ?
C25 Fe C15 C11 121.1(6) . . . . ?
C12 Fe C15 C11 -38.4(6) . . . . ?
C13 Fe C15 C11 -81.4(7) . . . . ?
C14 Fe C15 C11 -117.7(9) . . . . ?
C21 Fe C15 C11 78.9(6) . . . . ?
C22 Fe C15 C11 48.5(12) . . . . ?
C24 Fe C15 C11 162.4(5) . . . . ?
C23 Fe C15 C11 -165.6(8) . . . . ?
C2 C1 C21 C25 0.0(9) . . . . ?
N C1 C21 C25 130.0(6) . . . . ?
C2 C1 C21 C22 172.8(6) . . . . ?
N C1 C21 C22 -57.2(8) . . . . ?
C2 C1 C21 Fe 84.8(7) . . . . ?
N C1 C21 Fe -145.2(4) . . . . ?
C12 Fe C21 C25 162.1(5) . . . . ?
C13 Fe C21 C25 -170.1(10) . . . . ?
C11 Fe C21 C25 121.0(5) . . . . ?
C14 Fe C21 C25 47.3(11) . . . . ?
C15 Fe C21 C25 77.9(5) . . . . ?
C22 Fe C21 C25 -117.1(5) . . . . ?
C24 Fe C21 C25 -36.0(4) . . . . ?
C23 Fe C21 C25 -80.1(4) . . . . ?
C25 Fe C21 C22 117.1(5) . . . . ?
C12 Fe C21 C22 -80.9(5) . . . . ?
C13 Fe C21 C22 -53.0(11) . . . . ?
C11 Fe C21 C22 -122.0(5) . . . . ?
C14 Fe C21 C22 164.4(10) . . . . ?
C15 Fe C21 C22 -165.1(4) . . . . ?
C24 Fe C21 C22 81.0(4) . . . . ?
C23 Fe C21 C22 37.0(4) . . . . ?
C25 Fe C21 C1 -119.2(7) . . . . ?
C12 Fe C21 C1 42.9(7) . . . . ?
C13 Fe C21 C1 70.7(12) . . . . ?
C11 Fe C21 C1 1.8(6) . . . . ?
C14 Fe C21 C1 -71.8(12) . . . . ?
C15 Fe C21 C1 -41.3(6) . . . . ?
C22 Fe C21 C1 123.8(7) . . . . ?
C24 Fe C21 C1 -155.2(6) . . . . ?
C23 Fe C21 C1 160.7(6) . . . . ?
C25 C21 C22 C23 0.5(7) . . . . ?
C1 C21 C22 C23 -173.4(6) . . . . ?
Fe C21 C22 C23 -59.1(5) . . . . ?
C25 C21 C22 P -173.2(5) . . . . ?
C1 C21 C22 P 12.9(9) . . . . ?
Fe C21 C22 P 127.2(5) . . . . ?
C25 C21 C22 Fe 59.6(4) . . . . ?
C1 C21 C22 Fe -114.3(6) . . . . ?
C41 P C22 C23 60.0(7) . . . . ?
C51 P C22 C23 -44.5(7) . . . . ?
Ru P C22 C23 -164.9(5) . . . . ?
C41 P C22 C21 -127.6(5) . . . . ?
C51 P C22 C21 127.9(5) . . . . ?
Ru P C22 C21 7.4(6) . . . . ?
C41 P C22 Fe -37.6(5) . . . . ?
C51 P C22 Fe -142.1(4) . . . . ?
Ru P C22 Fe 97.5(4) . . . . ?
C25 Fe C22 C23 81.2(5) . . . . ?
C12 Fe C22 C23 -120.1(5) . . . . ?
C13 Fe C22 C23 -78.7(6) . . . . ?
C11 Fe C22 C23 -162.7(5) . . . . ?
C14 Fe C22 C23 -44.2(12) . . . . ?
C15 Fe C22 C23 160.4(9) . . . . ?
C21 Fe C22 C23 120.3(6) . . . . ?
C24 Fe C22 C23 38.0(4) . . . . ?
C25 Fe C22 C21 -39.0(4) . . . . ?
C12 Fe C22 C21 119.7(5) . . . . ?
C13 Fe C22 C21 161.0(5) . . . . ?
C11 Fe C22 C21 77.0(5) . . . . ?
C14 Fe C22 C21 -164.5(10) . . . . ?
C15 Fe C22 C21 40.2(11) . . . . ?
C24 Fe C22 C21 -82.3(4) . . . . ?
C23 Fe C22 C21 -120.3(6) . . . . ?
C25 Fe C22 P -154.2(5) . . . . ?
C12 Fe C22 P 4.5(6) . . . . ?
C13 Fe C22 P 45.8(7) . . . . ?
C11 Fe C22 P -38.2(6) . . . . ?
C14 Fe C22 P 80.3(12) . . . . ?
C15 Fe C22 P -75.0(11) . . . . ?
C21 Fe C22 P -115.2(6) . . . . ?
C24 Fe C22 P 162.6(5) . . . . ?
C23 Fe C22 P 124.6(7) . . . . ?
C21 C22 C23 C24 -0.6(8) . . . . ?
P C22 C23 C24 172.6(5) . . . . ?
Fe C22 C23 C24 -59.0(5) . . . . ?
C21 C22 C23 Fe 58.4(4) . . . . ?
P C22 C23 Fe -128.4(5) . . . . ?
C25 Fe C23 C22 -81.8(4) . . . . ?
C12 Fe C23 C22 80.1(6) . . . . ?
C13 Fe C23 C22 121.8(5) . . . . ?
C11 Fe C23 C22 45.5(11) . . . . ?
C14 Fe C23 C22 162.4(5) . . . . ?
C15 Fe C23 C22 -163.1(8) . . . . ?
C21 Fe C23 C22 -37.6(4) . . . . ?
C24 Fe C23 C22 -119.2(6) . . . . ?
C25 Fe C23 C24 37.3(5) . . . . ?
C12 Fe C23 C24 -160.7(5) . . . . ?
C13 Fe C23 C24 -119.1(6) . . . . ?
C11 Fe C23 C24 164.7(9) . . . . ?
C14 Fe C23 C24 -78.4(6) . . . . ?
C15 Fe C23 C24 -43.9(11) . . . . ?
C21 Fe C23 C24 81.6(5) . . . . ?
C22 Fe C23 C24 119.2(6) . . . . ?
C22 C23 C24 C25 0.5(8) . . . . ?
Fe C23 C24 C25 -58.4(5) . . . . ?
C22 C23 C24 Fe 58.9(5) . . . . ?
C12 Fe C24 C25 170.0(9) . . . . ?
C13 Fe C24 C25 -159.7(5) . . . . ?
C11 Fe C24 C25 -46.9(10) . . . . ?
C14 Fe C24 C25 -120.9(5) . . . . ?
C15 Fe C24 C25 -79.3(5) . . . . ?
C21 Fe C24 C25 36.9(4) . . . . ?
C22 Fe C24 C25 81.4(4) . . . . ?
C23 Fe C24 C25 119.0(6) . . . . ?
C25 Fe C24 C23 -119.0(6) . . . . ?
C12 Fe C24 C23 51.0(11) . . . . ?
C13 Fe C24 C23 81.3(6) . . . . ?
C11 Fe C24 C23 -165.9(8) . . . . ?
C14 Fe C24 C23 120.1(5) . . . . ?
C15 Fe C24 C23 161.7(5) . . . . ?
C21 Fe C24 C23 -82.1(4) . . . . ?
C22 Fe C24 C23 -37.6(4) . . . . ?
C23 C24 C25 C21 -0.2(8) . . . . ?
Fe C24 C25 C21 -59.2(5) . . . . ?
C23 C24 C25 Fe 59.0(5) . . . . ?
C22 C21 C25 C24 -0.2(8) . . . . ?
C1 C21 C25 C24 174.0(6) . . . . ?
Fe C21 C25 C24 59.9(5) . . . . ?
C22 C21 C25 Fe -60.1(4) . . . . ?
C1 C21 C25 Fe 114.1(6) . . . . ?
C12 Fe C25 C24 -169.7(9) . . . . ?
C13 Fe C25 C24 49.9(10) . . . . ?
C11 Fe C25 C24 160.9(5) . . . . ?
C14 Fe C25 C24 77.1(6) . . . . ?
C15 Fe C25 C24 118.1(5) . . . . ?
C21 Fe C25 C24 -121.4(6) . . . . ?
C22 Fe C25 C24 -82.1(4) . . . . ?
C23 Fe C25 C24 -38.2(4) . . . . ?
C12 Fe C25 C21 -48.3(11) . . . . ?
C13 Fe C25 C21 171.3(8) . . . . ?
C11 Fe C25 C21 -77.7(5) . . . . ?
C14 Fe C25 C21 -161.5(5) . . . . ?
C15 Fe C25 C21 -120.5(4) . . . . ?
C22 Fe C25 C21 39.2(4) . . . . ?
C24 Fe C25 C21 121.4(6) . . . . ?
C23 Fe C25 C21 83.1(4) . . . . ?
C34 Ru C31 C32 79.4(5) . . . . ?
C35 Ru C31 C32 117.5(7) . . . . ?
C33 Ru C31 C32 36.7(5) . . . . ?
N Ru C31 C32 -64.4(5) . . . . ?
P Ru C31 C32 -160.7(5) . . . . ?
Br Ru C31 C32 79.2(8) . . . . ?
C34 Ru C31 C35 -38.1(4) . . . . ?
C32 Ru C31 C35 -117.5(7) . . . . ?
C33 Ru C31 C35 -80.8(5) . . . . ?
N Ru C31 C35 178.0(4) . . . . ?
P Ru C31 C35 81.8(4) . . . . ?
Br Ru C31 C35 -38.3(8) . . . . ?
C35 C31 C32 C33 -0.5(9) . . . . ?
Ru C31 C32 C33 -61.8(5) . . . . ?
C35 C31 C32 Ru 61.3(5) . . . . ?
C34 Ru C32 C31 -81.4(6) . . . . ?
C35 Ru C32 C31 -37.9(5) . . . . ?
C33 Ru C32 C31 -119.1(8) . . . . ?
N Ru C32 C31 124.1(5) . . . . ?
P Ru C32 C31 26.8(7) . . . . ?
Br Ru C32 C31 -145.7(4) . . . . ?
C34 Ru C32 C33 37.7(5) . . . . ?
C35 Ru C32 C33 81.2(6) . . . . ?
C31 Ru C32 C33 119.1(8) . . . . ?
N Ru C32 C33 -116.8(5) . . . . ?
P Ru C32 C33 145.9(4) . . . . ?
Br Ru C32 C33 -26.5(7) . . . . ?
C31 C32 C33 C34 1.8(9) . . . . ?
Ru C32 C33 C34 -59.1(5) . . . . ?
C31 C32 C33 Ru 60.8(5) . . . . ?
C34 Ru C33 C32 -117.6(7) . . . . ?
C35 Ru C33 C32 -79.5(6) . . . . ?
C31 Ru C33 C32 -36.6(5) . . . . ?
N Ru C33 C32 70.9(6) . . . . ?
P Ru C33 C32 -82.6(8) . . . . ?
Br Ru C33 C32 160.4(5) . . . . ?
C35 Ru C33 C34 38.1(5) . . . . ?
C31 Ru C33 C34 81.0(5) . . . . ?
C32 Ru C33 C34 117.6(7) . . . . ?
N Ru C33 C34 -171.5(4) . . . . ?
P Ru C33 C34 35.0(8) . . . . ?
Br Ru C33 C34 -82.0(4) . . . . ?
C32 C33 C34 C35 -2.3(8) . . . . ?
Ru C33 C34 C35 -62.5(5) . . . . ?
C32 C33 C34 Ru 60.2(5) . . . . ?
C31 Ru C34 C35 37.7(5) . . . . ?
C32 Ru C34 C35 80.0(5) . . . . ?
C33 Ru C34 C35 117.4(7) . . . . ?
N Ru C34 C35 132.3(5) . . . . ?
P Ru C34 C35 -46.8(6) . . . . ?
Br Ru C34 C35 -142.3(5) . . . . ?
C35 Ru C34 C33 -117.4(7) . . . . ?
C31 Ru C34 C33 -79.7(5) . . . . ?
C32 Ru C34 C33 -37.4(5) . . . . ?
N Ru C34 C33 14.9(7) . . . . ?
P Ru C34 C33 -164.2(4) . . . . ?
Br Ru C34 C33 100.3(4) . . . . ?
C32 C31 C35 C34 -0.9(9) . . . . ?
Ru C31 C35 C34 61.3(5) . . . . ?
C32 C31 C35 Ru -62.2(5) . . . . ?
C33 C34 C35 C31 2.0(8) . . . . ?
Ru C34 C35 C31 -62.1(5) . . . . ?
C33 C34 C35 Ru 64.1(5) . . . . ?
C34 Ru C35 C31 117.3(7) . . . . ?
C32 Ru C35 C31 37.3(5) . . . . ?
C33 Ru C35 C31 79.7(5) . . . . ?
N Ru C35 C31 -3.9(8) . . . . ?
P Ru C35 C31 -101.6(4) . . . . ?
Br Ru C35 C31 162.1(4) . . . . ?
C31 Ru C35 C34 -117.3(7) . . . . ?
C32 Ru C35 C34 -79.9(5) . . . . ?
C33 Ru C35 C34 -37.6(5) . . . . ?
N Ru C35 C34 -121.1(6) . . . . ?
P Ru C35 C34 141.1(5) . . . . ?
Br Ru C35 C34 44.8(5) . . . . ?
C22 P C41 C42 134.4(5) . . . . ?
C51 P C41 C42 -120.5(6) . . . . ?
Ru P C41 C42 2.0(6) . . . . ?
C22 P C41 C46 -46.7(6) . . . . ?
C51 P C41 C46 58.4(6) . . . . ?
Ru P C41 C46 -179.1(5) . . . . ?
C46 C41 C42 C43 1.9(10) . . . . ?
P C41 C42 C43 -179.2(6) . . . . ?
C41 C42 C43 C44 1.9(12) . . . . ?
C42 C43 C44 C45 -3.3(13) . . . . ?
C43 C44 C45 C46 0.7(13) . . . . ?
C44 C45 C46 C41 3.1(12) . . . . ?
C42 C41 C46 C45 -4.4(11) . . . . ?
P C41 C46 C45 176.7(6) . . . . ?
C22 P C51 C52 -44.4(6) . . . . ?
C41 P C51 C52 -153.0(5) . . . . ?
Ru P C51 C52 78.6(6) . . . . ?
C22 P C51 C56 144.8(6) . . . . ?
C41 P C51 C56 36.2(6) . . . . ?
Ru P C51 C56 -92.2(6) . . . . ?
C56 C51 C52 C53 -2.4(10) . . . . ?
P C51 C52 C53 -173.5(6) . . . . ?
C51 C52 C53 C54 1.5(11) . . . . ?
C52 C53 C54 C55 0.5(11) . . . . ?
C53 C54 C55 C56 -1.5(12) . . . . ?
C54 C55 C56 C51 0.5(12) . . . . ?
C52 C51 C56 C55 1.5(11) . . . . ?
P C51 C56 C55 172.5(6) . . . . ?
C35' Ru' P' C21' 156.3(3) . . . . ?
C34' Ru' P' C21' -176.9(3) . . . . ?
C31' Ru' P' C21' 118.1(3) . . . . ?
C32' Ru' P' C21' 104.2(4) . . . . ?
C33' Ru' P' C21' 158.4(5) . . . . ?
N' Ru' P' C21' 5.5(3) . . . . ?
Br' Ru' P' C21' -82.5(2) . . . . ?
C35' Ru' P' C51' 41.9(3) . . . . ?
C34' Ru' P' C51' 68.8(4) . . . . ?
C31' Ru' P' C51' 3.7(3) . . . . ?
C32' Ru' P' C51' -10.2(4) . . . . ?
C33' Ru' P' C51' 44.1(5) . . . . ?
N' Ru' P' C51' -108.9(3) . . . . ?
Br' Ru' P' C51' 163.1(2) . . . . ?
C35' Ru' P' C41' -76.0(4) . . . . ?
C34' Ru' P' C41' -49.1(4) . . . . ?
C31' Ru' P' C41' -114.2(3) . . . . ?
C32' Ru' P' C41' -128.1(4) . . . . ?
C33' Ru' P' C41' -73.9(5) . . . . ?
N' Ru' P' C41' 133.2(3) . . . . ?
Br' Ru' P' C41' 45.2(3) . . . . ?
C35' Ru' N' C3' -12.6(7) . . . . ?
C34' Ru' N' C3' -94.4(6) . . . . ?
C31' Ru' N' C3' -16.7(5) . . . . ?
C32' Ru' N' C3' -51.4(5) . . . . ?
C33' Ru' N' C3' -86.0(5) . . . . ?
P' Ru' N' C3' 81.6(4) . . . . ?
Br' Ru' N' C3' -180.0(4) . . . . ?
C35' Ru' N' C4' 101.7(6) . . . . ?
C34' Ru' N' C4' 19.8(7) . . . . ?
C31' Ru' N' C4' 97.5(5) . . . . ?
C32' Ru' N' C4' 62.9(4) . . . . ?
C33' Ru' N' C4' 28.3(5) . . . . ?
P' Ru' N' C4' -164.1(4) . . . . ?
Br' Ru' N' C4' -65.7(4) . . . . ?
C35' Ru' N' C1' -139.9(5) . . . . ?
C34' Ru' N' C1' 138.3(5) . . . . ?
C31' Ru' N' C1' -144.0(4) . . . . ?
C32' Ru' N' C1' -178.7(4) . . . . ?
C33' Ru' N' C1' 146.7(4) . . . . ?
P' Ru' N' C1' -45.7(4) . . . . ?
Br' Ru' N' C1' 52.7(4) . . . . ?
C3' N' C1' C22' -53.3(7) . . . . ?
C4' N' C1' C22' -168.8(5) . . . . ?
Ru' N' C1' C22' 75.0(5) . . . . ?
C3' N' C1' C2' 72.7(7) . . . . ?
C4' N' C1' C2' -42.9(7) . . . . ?
Ru' N' C1' C2' -159.1(5) . . . . ?
C13' Fe' C11' C15' 79.9(7) . . . . ?
C23' Fe' C11' C15' -78.5(7) . . . . ?
C12' Fe' C11' C15' 117.0(9) . . . . ?
C24' Fe' C11' C15' -43.3(10) . . . . ?
C14' Fe' C11' C15' 38.4(7) . . . . ?
C22' Fe' C11' C15' -121.9(6) . . . . ?
C25' Fe' C11' C15' 163.1(10) . . . . ?
C21' Fe' C11' C15' -163.9(6) . . . . ?
C13' Fe' C11' C12' -37.1(6) . . . . ?
C23' Fe' C11' C12' 164.5(6) . . . . ?
C15' Fe' C11' C12' -117.0(9) . . . . ?
C24' Fe' C11' C12' -160.3(7) . . . . ?
C14' Fe' C11' C12' -78.6(7) . . . . ?
C22' Fe' C11' C12' 121.1(6) . . . . ?
C25' Fe' C11' C12' 46.1(13) . . . . ?
C21' Fe' C11' C12' 79.1(7) . . . . ?
C15' C11' C12' C13' -0.1(10) . . . . ?
Fe' C11' C12' C13' 61.0(6) . . . . ?
C15' C11' C12' Fe' -61.0(6) . . . . ?
C11' Fe' C12' C13' -116.8(9) . . . . ?
C23' Fe' C12' C13' -156.8(9) . . . . ?
C15' Fe' C12' C13' -79.0(7) . . . . ?
C24' Fe' C12' C13' 38.6(13) . . . . ?
C14' Fe' C12' C13' -35.4(7) . . . . ?
C22' Fe' C12' C13' 164.4(6) . . . . ?
C25' Fe' C12' C13' 77.9(7) . . . . ?
C21' Fe' C12' C13' 120.7(7) . . . . ?
C13' Fe' C12' C11' 116.8(9) . . . . ?
C23' Fe' C12' C11' -40.0(12) . . . . ?
C15' Fe' C12' C11' 37.8(6) . . . . ?
C24' Fe' C12' C11' 155.4(8) . . . . ?
C14' Fe' C12' C11' 81.4(6) . . . . ?
C22' Fe' C12' C11' -78.8(6) . . . . ?
C25' Fe' C12' C11' -165.3(5) . . . . ?
C21' Fe' C12' C11' -122.5(5) . . . . ?
C11' C12' C13' C14' 1.0(11) . . . . ?
Fe' C12' C13' C14' 61.1(8) . . . . ?
C11' C12' C13' Fe' -60.1(6) . . . . ?
C11' Fe' C13' C14' -80.7(7) . . . . ?
C23' Fe' C13' C14' 35.1(14) . . . . ?
C12' Fe' C13' C14' -121.2(10) . . . . ?
C15' Fe' C13' C14' -37.4(7) . . . . ?
C24' Fe' C13' C14' 73.9(8) . . . . ?
C22' Fe' C13' C14' -159.4(8) . . . . ?
C25' Fe' C13' C14' 117.0(7) . . . . ?
C21' Fe' C13' C14' 160.6(6) . . . . ?
C11' Fe' C13' C12' 40.5(6) . . . . ?
C23' Fe' C13' C12' 156.3(9) . . . . ?
C15' Fe' C13' C12' 83.7(7) . . . . ?
C24' Fe' C13' C12' -165.0(6) . . . . ?
C14' Fe' C13' C12' 121.2(10) . . . . ?
C22' Fe' C13' C12' -38.2(14) . . . . ?
C25' Fe' C13' C12' -121.9(6) . . . . ?
C21' Fe' C13' C12' -78.2(7) . . . . ?
C12' C13' C14' C15' -1.6(12) . . . . ?
Fe' C13' C14' C15' 59.1(7) . . . . ?
C12' C13' C14' Fe' -60.7(7) . . . . ?
C11' Fe' C14' C13' 82.0(8) . . . . ?
C23' Fe' C14' C13' -165.8(6) . . . . ?
C12' Fe' C14' C13' 35.8(7) . . . . ?
C15' Fe' C14' C13' 120.1(10) . . . . ?
C24' Fe' C14' C13' -124.0(7) . . . . ?
C22' Fe' C14' C13' 157.5(10) . . . . ?
C25' Fe' C14' C13' -81.8(8) . . . . ?
C21' Fe' C14' C13' -45.3(13) . . . . ?
C13' Fe' C14' C15' -120.1(10) . . . . ?
C11' Fe' C14' C15' -38.0(6) . . . . ?
C23' Fe' C14' C15' 74.1(7) . . . . ?
C12' Fe' C14' C15' -84.2(7) . . . . ?
C24' Fe' C14' C15' 115.9(7) . . . . ?
C22' Fe' C14' C15' 37.4(15) . . . . ?
C25' Fe' C14' C15' 158.2(6) . . . . ?
C21' Fe' C14' C15' -165.4(8) . . . . ?
C12' C11' C15' C14' -0.8(10) . . . . ?
Fe' C11' C15' C14' -61.0(6) . . . . ?
C12' C11' C15' Fe' 60.2(6) . . . . ?
C13' C14' C15' C11' 1.4(11) . . . . ?
Fe' C14' C15' C11' 60.7(6) . . . . ?
C13' C14' C15' Fe' -59.3(7) . . . . ?
C13' Fe' C15' C11' -81.9(7) . . . . ?
C23' Fe' C15' C11' 118.5(6) . . . . ?
C12' Fe' C15' C11' -40.1(6) . . . . ?
C24' Fe' C15' C11' 160.4(5) . . . . ?
C14' Fe' C15' C11' -117.5(9) . . . . ?
C22' Fe' C15' C11' 76.5(7) . . . . ?
C25' Fe' C15' C11' -168.2(7) . . . . ?
C21' Fe' C15' C11' 44.7(13) . . . . ?
C13' Fe' C15' C14' 35.6(7) . . . . ?
C11' Fe' C15' C14' 117.5(9) . . . . ?
C23' Fe' C15' C14' -123.9(7) . . . . ?
C12' Fe' C15' C14' 77.5(8) . . . . ?
C24' Fe' C15' C14' -82.0(8) . . . . ?
C22' Fe' C15' C14' -166.0(7) . . . . ?
C25' Fe' C15' C14' -50.7(12) . . . . ?
C21' Fe' C15' C14' 162.2(10) . . . . ?
C51' P' C21' C25' -37.8(6) . . . . ?
C41' P' C21' C25' 66.5(6) . . . . ?
Ru' P' C21' C25' -158.4(5) . . . . ?
C51' P' C21' C22' 131.3(5) . . . . ?
C41' P' C21' C22' -124.4(5) . . . . ?
Ru' P' C21' C22' 10.7(6) . . . . ?
C51' P' C21' Fe' -136.4(4) . . . . ?
C41' P' C21' Fe' -32.1(5) . . . . ?
Ru' P' C21' Fe' 103.0(4) . . . . ?
C13' Fe' C21' C25' -82.0(6) . . . . ?
C11' Fe' C21' C25' -166.2(5) . . . . ?
C23' Fe' C21' C25' 80.2(4) . . . . ?
C12' Fe' C21' C25' -122.1(5) . . . . ?
C15' Fe' C21' C25' 160.3(10) . . . . ?
C24' Fe' C21' C25' 36.7(4) . . . . ?
C14' Fe' C21' C25' -50.1(11) . . . . ?
C22' Fe' C21' C25' 118.6(5) . . . . ?
C13' Fe' C21' C22' 159.4(5) . . . . ?
C11' Fe' C21' C22' 75.2(5) . . . . ?
C23' Fe' C21' C22' -38.4(3) . . . . ?
C12' Fe' C21' C22' 119.3(5) . . . . ?
C15' Fe' C21' C22' 41.7(11) . . . . ?
C24' Fe' C21' C22' -81.9(4) . . . . ?
C14' Fe' C21' C22' -168.8(10) . . . . ?
C25' Fe' C21' C22' -118.6(5) . . . . ?
C13' Fe' C21' P' 42.7(7) . . . . ?
C11' Fe' C21' P' -41.6(6) . . . . ?
C23' Fe' C21' P' -155.2(5) . . . . ?
C12' Fe' C21' P' 2.5(6) . . . . ?
C15' Fe' C21' P' -75.1(12) . . . . ?
C24' Fe' C21' P' 161.3(5) . . . . ?
C14' Fe' C21' P' 74.5(11) . . . . ?
C22' Fe' C21' P' -116.7(6) . . . . ?
C25' Fe' C21' P' 124.6(7) . . . . ?
C25' C21' C22' C23' -0.2(7) . . . . ?
P' C21' C22' C23' -171.4(4) . . . . ?
Fe' C21' C22' C23' 59.0(4) . . . . ?
C25' C21' C22' C1' -177.5(6) . . . . ?
P' C21' C22' C1' 11.4(9) . . . . ?
Fe' C21' C22' C1' -118.3(6) . . . . ?
C25' C21' C22' Fe' -59.2(4) . . . . ?
P' C21' C22' Fe' 129.7(5) . . . . ?
N' C1' C22' C23' 125.0(6) . . . . ?
C2' C1' C22' C23' -2.8(9) . . . . ?
N' C1' C22' C21' -58.2(8) . . . . ?
C2' C1' C22' C21' 174.0(6) . . . . ?
N' C1' C22' Fe' -147.6(4) . . . . ?
C2' C1' C22' Fe' 84.6(7) . . . . ?
C13' Fe' C22' C23' -172.3(10) . . . . ?
C11' Fe' C22' C23' 116.7(5) . . . . ?
C12' Fe' C22' C23' 160.2(5) . . . . ?
C15' Fe' C22' C23' 76.3(5) . . . . ?
C24' Fe' C22' C23' -37.0(4) . . . . ?
C14' Fe' C22' C23' 48.4(12) . . . . ?
C25' Fe' C22' C23' -80.5(4) . . . . ?
C21' Fe' C22' C23' -118.5(5) . . . . ?
C13' Fe' C22' C21' -53.9(11) . . . . ?
C11' Fe' C22' C21' -124.8(4) . . . . ?
C23' Fe' C22' C21' 118.5(5) . . . . ?
C12' Fe' C22' C21' -81.4(5) . . . . ?
C15' Fe' C22' C21' -165.2(5) . . . . ?
C24' Fe' C22' C21' 81.4(4) . . . . ?
C14' Fe' C22' C21' 166.9(10) . . . . ?
C25' Fe' C22' C21' 38.0(4) . . . . ?
C13' Fe' C22' C1' 67.8(12) . . . . ?
C11' Fe' C22' C1' -3.1(6) . . . . ?
C23' Fe' C22' C1' -119.8(7) . . . . ?
C12' Fe' C22' C1' 40.3(7) . . . . ?
C15' Fe' C22' C1' -43.5(7) . . . . ?
C24' Fe' C22' C1' -156.9(6) . . . . ?
C14' Fe' C22' C1' -71.5(12) . . . . ?
C25' Fe' C22' C1' 159.7(6) . . . . ?
C21' Fe' C22' C1' 121.7(7) . . . . ?
C21' C22' C23' C24' -0.2(7) . . . . ?
C1' C22' C23' C24' 177.2(6) . . . . ?
Fe' C22' C23' C24' 59.4(5) . . . . ?
C21' C22' C23' Fe' -59.6(4) . . . . ?
C1' C22' C23' Fe' 117.7(6) . . . . ?
C13' Fe' C23' C24' 52.2(12) . . . . ?
C11' Fe' C23' C24' 158.0(5) . . . . ?
C12' Fe' C23' C24' -172.0(9) . . . . ?
C15' Fe' C23' C24' 117.5(5) . . . . ?
C14' Fe' C23' C24' 77.5(6) . . . . ?
C22' Fe' C23' C24' -120.0(5) . . . . ?
C25' Fe' C23' C24' -37.7(4) . . . . ?
C21' Fe' C23' C24' -81.6(4) . . . . ?
C13' Fe' C23' C22' 172.1(10) . . . . ?
C11' Fe' C23' C22' -82.0(5) . . . . ?
C12' Fe' C23' C22' -52.0(10) . . . . ?
C15' Fe' C23' C22' -122.5(5) . . . . ?
C24' Fe' C23' C22' 120.0(5) . . . . ?
C14' Fe' C23' C22' -162.6(5) . . . . ?
C25' Fe' C23' C22' 82.3(4) . . . . ?
C21' Fe' C23' C22' 38.3(3) . . . . ?
C22' C23' C24' C25' 0.5(8) . . . . ?
Fe' C23' C24' C25' 59.8(5) . . . . ?
C22' C23' C24' Fe' -59.3(4) . . . . ?
C13' Fe' C24' C23' -160.2(6) . . . . ?
C11' Fe' C24' C23' -49.7(9) . . . . ?
C12' Fe' C24' C23' 171.6(9) . . . . ?
C15' Fe' C24' C23' -80.0(6) . . . . ?
C14' Fe' C24' C23' -121.9(5) . . . . ?
C22' Fe' C24' C23' 37.8(4) . . . . ?
C25' Fe' C24' C23' 119.0(6) . . . . ?
C21' Fe' C24' C23' 82.1(4) . . . . ?
C13' Fe' C24' C25' 80.7(6) . . . . ?
C11' Fe' C24' C25' -168.7(7) . . . . ?
C23' Fe' C24' C25' -119.0(6) . . . . ?
C12' Fe' C24' C25' 52.6(11) . . . . ?
C15' Fe' C24' C25' 161.0(5) . . . . ?
C14' Fe' C24' C25' 119.1(6) . . . . ?
C22' Fe' C24' C25' -81.3(4) . . . . ?
C21' Fe' C24' C25' -37.0(4) . . . . ?
C23' C24' C25' C21' -0.7(8) . . . . ?
Fe' C24' C25' C21' 58.7(5) . . . . ?
C23' C24' C25' Fe' -59.3(5) . . . . ?
C22' C21' C25' C24' 0.6(7) . . . . ?
P' C21' C25' C24' 171.0(5) . . . . ?
Fe' C21' C25' C24' -58.4(5) . . . . ?
C22' C21' C25' Fe' 59.0(4) . . . . ?
P' C21' C25' Fe' -130.5(5) . . . . ?
C13' Fe' C25' C24' -120.2(6) . . . . ?
C11' Fe' C25' C24' 163.2(10) . . . . ?
C23' Fe' C25' C24' 37.8(4) . . . . ?
C12' Fe' C25' C24' -160.6(5) . . . . ?
C15' Fe' C25' C24' -43.8(10) . . . . ?
C14' Fe' C25' C24' -79.8(6) . . . . ?
C22' Fe' C25' C24' 82.4(4) . . . . ?
C21' Fe' C25' C24' 120.8(6) . . . . ?
C13' Fe' C25' C21' 119.0(6) . . . . ?
C11' Fe' C25' C21' 42.4(12) . . . . ?
C23' Fe' C25' C21' -83.0(4) . . . . ?
C12' Fe' C25' C21' 78.6(6) . . . . ?
C15' Fe' C25' C21' -164.6(8) . . . . ?
C24' Fe' C25' C21' -120.8(6) . . . . ?
C14' Fe' C25' C21' 159.4(6) . . . . ?
C22' Fe' C25' C21' -38.4(4) . . . . ?
C35' Ru' C31' C32' 114.8(6) . . . . ?
C34' Ru' C31' C32' 77.8(5) . . . . ?
C33' Ru' C31' C32' 35.3(5) . . . . ?
N' Ru' C31' C32' -68.5(5) . . . . ?
P' Ru' C31' C32' -163.2(4) . . . . ?
Br' Ru' C31' C32' 70.0(7) . . . . ?
C34' Ru' C31' C35' -37.0(5) . . . . ?
C32' Ru' C31' C35' -114.8(6) . . . . ?
C33' Ru' C31' C35' -79.5(5) . . . . ?
N' Ru' C31' C35' 176.7(4) . . . . ?
P' Ru' C31' C35' 82.0(4) . . . . ?
Br' Ru' C31' C35' -44.8(8) . . . . ?
C35' C31' C32' C33' 1.5(8) . . . . ?
Ru' C31' C32' C33' -60.4(5) . . . . ?
C35' C31' C32' Ru' 61.9(5) . . . . ?
C35' Ru' C32' C33' 81.3(5) . . . . ?
C34' Ru' C32' C33' 37.9(5) . . . . ?
C31' Ru' C32' C33' 121.0(7) . . . . ?
N' Ru' C32' C33' -118.9(5) . . . . ?
P' Ru' C32' C33' 144.0(4) . . . . ?
Br' Ru' C32' C33' -27.5(6) . . . . ?
C35' Ru' C32' C31' -39.7(5) . . . . ?
C34' Ru' C32' C31' -83.1(5) . . . . ?
C33' Ru' C32' C31' -121.0(7) . . . . ?
N' Ru' C32' C31' 120.1(5) . . . . ?
P' Ru' C32' C31' 23.0(6) . . . . ?
Br' Ru' C32' C31' -148.5(4) . . . . ?
C31' C32' C33' C34' -0.1(8) . . . . ?
Ru' C32' C33' C34' -59.7(5) . . . . ?
C31' C32' C33' Ru' 59.6(5) . . . . ?
C35' Ru' C33' C32' -79.0(5) . . . . ?
C34' Ru' C33' C32' -117.6(7) . . . . ?
C31' Ru' C33' C32' -35.6(5) . . . . ?
N' Ru' C33' C32' 69.4(5) . . . . ?
P' Ru' C33' C32' -81.4(7) . . . . ?
Br' Ru' C33' C32' 158.8(5) . . . . ?
C35' Ru' C33' C34' 38.6(5) . . . . ?
C31' Ru' C33' C34' 82.0(5) . . . . ?
C32' Ru' C33' C34' 117.6(7) . . . . ?
N' Ru' C33' C34' -173.0(4) . . . . ?
P' Ru' C33' C34' 36.2(7) . . . . ?
Br' Ru' C33' C34' -83.6(4) . . . . ?
C32' C33' C34' C35' -1.4(8) . . . . ?
Ru' C33' C34' C35' -62.7(5) . . . . ?
C32' C33' C34' Ru' 61.3(5) . . . . ?
C31' Ru' C34' C35' 37.2(5) . . . . ?
C32' Ru' C34' C35' 79.1(5) . . . . ?
C33' Ru' C34' C35' 116.1(7) . . . . ?
N' Ru' C34' C35' 128.8(6) . . . . ?
P' Ru' C34' C35' -46.7(6) . . . . ?
Br' Ru' C34' C35' -146.2(5) . . . . ?
C35' Ru' C34' C33' -116.1(7) . . . . ?
C31' Ru' C34' C33' -78.8(5) . . . . ?
C32' Ru' C34' C33' -36.9(4) . . . . ?
N' Ru' C34' C33' 12.7(7) . . . . ?
P' Ru' C34' C33' -162.8(3) . . . . ?
Br' Ru' C34' C33' 97.8(4) . . . . ?
C33' C34' C35' C31' 2.4(8) . . . . ?
Ru' C34' C35' C31' -61.9(5) . . . . ?
C33' C34' C35' Ru' 64.3(5) . . . . ?
C32' C31' C35' C34' -2.4(8) . . . . ?
Ru' C31' C35' C34' 61.4(5) . . . . ?
C32' C31' C35' Ru' -63.8(5) . . . . ?
C31' Ru' C35' C34' -118.8(7) . . . . ?
C32' Ru' C35' C34' -80.3(5) . . . . ?
C33' Ru' C35' C34' -38.4(5) . . . . ?
N' Ru' C35' C34' -125.0(6) . . . . ?
P' Ru' C35' C34' 140.6(5) . . . . ?
Br' Ru' C35' C34' 40.3(6) . . . . ?
C34' Ru' C35' C31' 118.8(7) . . . . ?
C32' Ru' C35' C31' 38.5(4) . . . . ?
C33' Ru' C35' C31' 80.4(5) . . . . ?
N' Ru' C35' C31' -6.2(8) . . . . ?
P' Ru' C35' C31' -100.7(4) . . . . ?
Br' Ru' C35' C31' 159.1(4) . . . . ?
C21' P' C41' C42' 128.5(6) . . . . ?
C51' P' C41' C42' -127.1(6) . . . . ?
Ru' P' C41' C42' -3.6(7) . . . . ?
C21' P' C41' C46' -50.4(7) . . . . ?
C51' P' C41' C46' 54.1(7) . . . . ?
Ru' P' C41' C46' 177.5(5) . . . . ?
C46' C41' C42' C43' 2.8(12) . . . . ?
P' C41' C42' C43' -176.1(7) . . . . ?
C41' C42' C43' C44' -3.6(13) . . . . ?
C42' C43' C44' C45' 3.6(14) . . . . ?
C43' C44' C45' C46' -2.8(14) . . . . ?
C44' C45' C46' C41' 2.0(13) . . . . ?
C42' C41' C46' C45' -1.9(12) . . . . ?
P' C41' C46' C45' 176.9(6) . . . . ?
C21' P' C51' C52' -47.0(6) . . . . ?
C41' P' C51' C52' -154.9(5) . . . . ?
Ru' P' C51' C52' 75.9(5) . . . . ?
C21' P' C51' C56' 138.2(6) . . . . ?
C41' P' C51' C56' 30.3(6) . . . . ?
Ru' P' C51' C56' -98.9(6) . . . . ?
C56' C51' C52' C53' 0.1(10) . . . . ?
P' C51' C52' C53' -174.9(5) . . . . ?
C51' C52' C53' C54' 0.6(11) . . . . ?
C52' C53' C54' C55' -1.1(12) . . . . ?
C53' C54' C55' C56' 0.7(13) . . . . ?
C52' C51' C56' C55' -0.4(11) . . . . ?
P' C51' C56' C55' 174.6(6) . . . . ?
C54' C55' C56' C51' 0.0(13) . . . . ?
