#------------------------------------------------------------------------------
#$Date: 2016-03-23 16:11:56 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179366 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/63/4326318.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_4326318
loop_
_publ_author_name
'William P. Forrest'
'Zhi Cao'
'Wei-Zhong Chen'
'Kerry M. Hassell'
'Anastasia Kharlamova'
'Greta Jakstonyte'
'Tong Ren'
_publ_contact_author_address
;    Department of Chemistry
     Purdue University
     560 Oval Dr.
     W. Lafayette
     IN 47907-2084
     USA
;
_publ_contact_author_email       pfanwick@purdue.edu
_publ_contact_author_fax         1(765)4940239
_publ_contact_author_name        'Phillip E. Fanwick'
_publ_contact_author_phone       1(765)4944572
_publ_section_title
;
 Decorating Diruthenium Compounds with Fréchet Dendrons via the Click
 Reaction
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              9345
_journal_page_last               9353
_journal_paper_doi               10.1021/ic200929r
_journal_volume                  50
_journal_year                    2011
_chemical_formula_moiety         'C71 H51 Cl13 N11 O2 Ru2'
_chemical_formula_sum            'C71 H51 Cl13 N11 O2 Ru2'
_chemical_formula_weight         1753.30
_chemical_name_systematic        ' ?'
_space_group_IT_number           148
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_atom_type_scat_source
'International Tables for Crystallography (Vol C)'
_audit_creation_date             5-10-05
_audit_creation_method           SHELXL_and_local_programs
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            18
_cell_length_a                   29.1361(13)
_cell_length_b                   29.1361(13)
_cell_length_c                   55.364(3)
_cell_measurement_reflns_used    29746
_cell_measurement_temperature    150
_cell_measurement_theta_max      24
_cell_measurement_theta_min      2
_cell_volume                     40702(3)
_computing_cell_refinement       DENZO/SCALEPACK_(Otwinowski,_1996)
_computing_data_collection       Collect_(Nonius,_1998)
_computing_data_reduction        DENZO/SCALEPACK_(Otwinowski,_1996)
_computing_molecular_graphics
;
    ORTEP (Johnson, 1976)
    PLATON (Spek, 1997)
;
_computing_structure_refinement  SHELX97_(Sheldrick,_1997)
_computing_structure_solution    PATTY_(DIRDIF99,_Beurskins,_1999)
_diffrn_ambient_temperature      150
_diffrn_measured_fraction_theta_full 0.9874
_diffrn_measured_fraction_theta_max 0.9874
_diffrn_measurement_device_type  Nonius_KappaCCD
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  'graphite 002'
_diffrn_radiation_type           MO-K\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.084
_diffrn_reflns_limit_h_max       33
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       63
_diffrn_reflns_limit_l_min       -63
_diffrn_reflns_number            29746
_diffrn_reflns_theta_full        24.1
_diffrn_reflns_theta_max         24.12
_diffrn_reflns_theta_min         2.17
_exptl_absorpt_coefficient_mu    0.757
_exptl_absorpt_correction_T_max  0.9362
_exptl_absorpt_correction_T_min  0.8966
_exptl_absorpt_correction_type   multi-scan_(Otwinowski_&_Minor,_1997)
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.287
_exptl_crystal_description       plate
_exptl_crystal_F_000             15822
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.33
_exptl_crystal_size_min          0.09
_platon_squeeze_details
' ?                                                                     '
_refine_diff_density_max         0.57
_refine_diff_density_min         -0.39
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.019
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     894
_refine_ls_number_reflns         11758
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.088
_refine_ls_R_factor_gt           0.058
_refine_ls_shift/su_max          0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'1/[σ²(Fo²)+(0.0670P)²+100.1725P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.130
_refine_ls_wR_factor_ref         0.141
_reflns_number_gt                8442
_reflns_number_total             11758
_reflns_threshold_expression     >2.0σ(I)
_cod_data_source_file            ic200929r_si_002.cif
_cod_data_source_block           CHEN01
_cod_original_sg_symbol_H-M      'R -3'
_cod_database_code               4326318
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'
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
Ru(1) Ru 0.32699(2) 0.40780(2) 0.094037(8) 0.04141(16) Uani 1 1 d .
Ru(2) Ru 0.269548(19) 0.405297(19) 0.064963(8) 0.03869(15) Uani 1 1 d .
Cl(2) Cl 0.20900(6) 0.40110(6) 0.03394(3) 0.0454(4) Uani 1 1 d .
Cl(21) Cl 0.49832(9) 0.39919(11) 0.12737(4) 0.0975(8) Uani 1 1 d .
Cl(22) Cl 0.47733(8) 0.31236(9) 0.03980(4) 0.0798(6) Uani 1 1 d .
Cl(23) Cl 0.19432(9) 0.25010(9) -0.02990(3) 0.0818(6) Uani 1 1 d .
Cl(24) Cl 0.06748(9) 0.18966(10) 0.04813(5) 0.1127(9) Uani 1 1 d .
Cl(31) Cl 0.23144(11) 0.34863(12) 0.20536(4) 0.1164(9) Uani 1 1 d .
Cl(32) Cl 0.37100(13) 0.29838(14) 0.16752(5) 0.1368(11) Uani 1 1 d .
Cl(33) Cl 0.00334(8) 0.24082(9) 0.09416(5) 0.0929(7) Uani 1 1 d .
Cl(34) Cl 0.09251(7) 0.44946(8) 0.07599(3) 0.0658(5) Uani 1 1 d .
Cl(41) Cl 0.27634(11) 0.50611(11) 0.19732(4) 0.1036(8) Uani 1 1 d .
Cl(42) Cl 0.42637(8) 0.45372(9) 0.18280(3) 0.0838(6) Uani 1 1 d .
Cl(43) Cl 0.29169(7) 0.57249(7) -0.00034(3) 0.0625(5) Uani 1 1 d .
Cl(44) Cl 0.20573(8) 0.60453(7) 0.07901(3) 0.0671(5) Uani 1 1 d .
O(124) O 0.6145(2) 0.8335(2) -0.05685(8) 0.0743(15) Uani 1 1 d .
O(132) O 0.7624(2) 0.8107(2) -0.07339(9) 0.0784(15) Uani 1 1 d .
N(12) N 0.38876(19) 0.46517(19) 0.07567(8) 0.0423(12) Uani 1 1 d .
N(14) N 0.33439(19) 0.44390(19) 0.04271(8) 0.0387(12) Uani 1 1 d .
N(21) N 0.3371(2) 0.3528(2) 0.07528(9) 0.0459(13) Uani 1 1 d .
N(23) N 0.2620(2) 0.33359(19) 0.05366(8) 0.0451(13) Uani 1 1 d .
N(31) N 0.2638(2) 0.3521(2) 0.11408(8) 0.0458(13) Uani 1 1 d .
N(33) N 0.20605(19) 0.36398(19) 0.08940(8) 0.0411(12) Uani 1 1 d .
N(41) N 0.31885(19) 0.46442(19) 0.11278(8) 0.0417(12) Uani 1 1 d .
N(43) N 0.28206(19) 0.47892(19) 0.07892(8) 0.0431(12) Uani 1 1 d .
N(113) N 0.6133(2) 0.6296(2) 0.00076(10) 0.0616(15) Uani 1 1 d .
N(114) N 0.6562(2) 0.6764(2) -0.00176(10) 0.0604(15) Uani 1 1 d .
N(115) N 0.6457(2) 0.7128(2) 0.00759(9) 0.0493(13) Uani 1 1 d .
C(11) C 0.4381(3) 0.5021(3) 0.08818(11) 0.0543(17) Uani 1 1 d .
C(13) C 0.3829(2) 0.4712(2) 0.05221(10) 0.0415(15) Uani 1 1 d .
C(15) C 0.3292(3) 0.4399(3) 0.01619(10) 0.0494(16) Uani 1 1 d .
C(16) C 0.4296(2) 0.5093(2) 0.03761(10) 0.0417(15) Uani 1 1 d .
C(17) C 0.4320(3) 0.5548(3) 0.02913(11) 0.0506(17) Uani 1 1 d .
C(18) C 0.4787(3) 0.5955(3) 0.01963(12) 0.0536(17) Uani 1 1 d .
C(19) C 0.5233(2) 0.5905(2) 0.01799(10) 0.0426(15) Uani 1 1 d .
C(22) C 0.3003(3) 0.3237(2) 0.05919(11) 0.0467(16) Uani 1 1 d .
C(26) C 0.4037(3) 0.3318(3) 0.05925(12) 0.0523(17) Uani 1 1 d .
C(32) C 0.2162(3) 0.3443(2) 0.10884(11) 0.0451(16) Uani 1 1 d .
C(42) C 0.3006(2) 0.4914(2) 0.10095(10) 0.0427(15) Uani 1 1 d .
C(110) C 0.5197(3) 0.5432(2) 0.02470(11) 0.0481(16) Uani 1 1 d .
C(111) C 0.4728(3) 0.5024(2) 0.03435(11) 0.0483(16) Uani 1 1 d .
C(112) C 0.5746(2) 0.6355(3) 0.01123(10) 0.0440(15) Uani 1 1 d .
C(116) C 0.5952(2) 0.6890(3) 0.01563(11) 0.0477(16) Uani 1 1 d .
C(117) C 0.6865(2) 0.7686(2) 0.00666(11) 0.0491(16) Uani 1 1 d .
C(118) C 0.6890(3) 0.7911(2) -0.01839(11) 0.0492(16) Uani 1 1 d .
C(119) C 0.6508(3) 0.8032(3) -0.02536(11) 0.0526(17) Uani 1 1 d .
C(120) C 0.6502(3) 0.8196(3) -0.04840(12) 0.0585(18) Uani 1 1 d .
C(121) C 0.6856(3) 0.8218(3) -0.06537(13) 0.069(2) Uani 1 1 d .
C(122) C 0.7242(3) 0.8097(3) -0.05849(12) 0.0614(19) Uani 1 1 d .
C(123) C 0.7272(3) 0.7964(2) -0.03454(12) 0.0518(17) Uani 1 1 d .
C(125) C 0.5827(3) 0.8400(3) -0.03879(12) 0.071(2) Uani 1 1 d .
C(126) C 0.5535(3) 0.8645(3) -0.05034(13) 0.071(2) Uani 1 1 d .
C(127) C 0.4998(4) 0.8427(5) -0.0474(2) 0.145(5) Uani 1 1 d .
C(128) C 0.4723(5) 0.8670(6) -0.0569(3) 0.185(7) Uani 1 1 d .
C(129) C 0.4998(5) 0.9112(5) -0.0708(2) 0.108(3) Uani 1 1 d .
C(130) C 0.5507(5) 0.9332(5) -0.0720(2) 0.145(5) Uani 1 1 d .
C(131) C 0.5782(4) 0.9111(4) -0.0618(2) 0.130(5) Uani 1 1 d .
C(133) C 0.7581(4) 0.8185(4) -0.09895(14) 0.107(3) Uani 1 1 d .
C(134) C 0.7999(4) 0.8127(4) -0.11217(18) 0.094(3) Uani 1 1 d .
C(135) C 0.7926(4) 0.8028(4) -0.13687(18) 0.116(4) Uani 1 1 d .
C(136) C 0.8314(6) 0.7983(4) -0.1503(2) 0.127(4) Uani 1 1 d .
C(137) C 0.8751(6) 0.8028(5) -0.1390(2) 0.128(5) Uani 1 1 d .
C(138) C 0.8827(4) 0.8131(4) -0.1152(2) 0.112(4) Uani 1 1 d .
C(139) C 0.8439(5) 0.8169(4) -0.10163(19) 0.108(4) Uani 1 1 d .
C(211) C 0.3843(2) 0.3507(2) 0.07745(11) 0.0465(16) Uani 1 1 d .
C(212) C 0.4139(3) 0.3707(3) 0.09841(12) 0.0568(18) Uani 1 1 d .
C(213) C 0.4621(3) 0.3726(3) 0.10091(12) 0.0623(19) Uani 1 1 d .
C(214) C 0.4818(3) 0.3535(3) 0.08312(13) 0.065(2) Uani 1 1 d .
C(215) C 0.4516(3) 0.3335(3) 0.06248(12) 0.0559(18) Uani 1 1 d .
C(231) C 0.2196(3) 0.2972(2) 0.03877(11) 0.0473(16) Uani 1 1 d .
C(232) C 0.2268(3) 0.2934(3) 0.01419(11) 0.0485(16) Uani 1 1 d .
C(233) C 0.1851(3) 0.2565(3) 0.00044(12) 0.0572(18) Uani 1 1 d .
C(234) C 0.1353(3) 0.2236(3) 0.01070(15) 0.068(2) Uani 1 1 d .
C(235) C 0.1301(3) 0.2295(3) 0.03482(15) 0.067(2) Uani 1 1 d .
C(236) C 0.1711(3) 0.2648(3) 0.04935(13) 0.0571(18) Uani 1 1 d .
C(311) C 0.2726(3) 0.3391(2) 0.13770(11) 0.0503(16) Uani 1 1 d .
C(312) C 0.2484(3) 0.3465(3) 0.15758(11) 0.0597(19) Uani 1 1 d .
C(313) C 0.2615(4) 0.3378(3) 0.18054(13) 0.078(2) Uani 1 1 d .
C(314) C 0.2983(4) 0.3227(4) 0.18445(15) 0.089(3) Uani 1 1 d .
C(315) C 0.3220(3) 0.3152(3) 0.16422(17) 0.089(3) Uani 1 1 d .
C(316) C 0.3085(3) 0.3224(3) 0.14069(13) 0.064(2) Uani 1 1 d .
C(331) C 0.1536(2) 0.3556(2) 0.08742(10) 0.0435(15) Uani 1 1 d .
C(332) C 0.1088(3) 0.3064(3) 0.09093(11) 0.0535(17) Uani 1 1 d .
C(333) C 0.0593(3) 0.3024(3) 0.08945(12) 0.0623(19) Uani 1 1 d .
C(334) C 0.0527(3) 0.3452(3) 0.08488(12) 0.0617(19) Uani 1 1 d .
C(335) C 0.0979(3) 0.3940(3) 0.08145(11) 0.0514(17) Uani 1 1 d .
C(336) C 0.1476(2) 0.3994(3) 0.08257(10) 0.0469(16) Uani 1 1 d .
C(411) C 0.3304(2) 0.4726(2) 0.13775(10) 0.0472(16) Uani 1 1 d .
C(412) C 0.3017(3) 0.4861(3) 0.15333(11) 0.0549(18) Uani 1 1 d .
C(413) C 0.3132(3) 0.4907(3) 0.17794(12) 0.068(2) Uani 1 1 d .
C(414) C 0.3505(3) 0.4808(3) 0.18724(12) 0.068(2) Uani 1 1 d .
C(415) C 0.3790(3) 0.4680(3) 0.17184(11) 0.0577(18) Uani 1 1 d .
C(416) C 0.3701(3) 0.4641(3) 0.14704(11) 0.0529(17) Uani 1 1 d .
C(431) C 0.2707(2) 0.5147(2) 0.06644(10) 0.0395(14) Uani 1 1 d .
C(432) C 0.2843(2) 0.5247(2) 0.04225(10) 0.0429(15) Uani 1 1 d .
C(433) C 0.2744(2) 0.5606(2) 0.03011(10) 0.0460(16) Uani 1 1 d .
C(434) C 0.2513(2) 0.5865(2) 0.04091(11) 0.0484(16) Uani 1 1 d .
C(435) C 0.2371(3) 0.5748(3) 0.06478(11) 0.0501(16) Uani 1 1 d .
C(436) C 0.2457(2) 0.5390(2) 0.07771(11) 0.0470(16) Uani 1 1 d .
H(17) H 0.4013 0.5583 0.0298 0.061 Uiso 1 1 calc R
H(18) H 0.4800 0.6270 0.0142 0.064 Uiso 1 1 calc R
H(22) H 0.3014 0.2952 0.0515 0.056 Uiso 1 1 calc R
H(26) H 0.3842 0.3178 0.0448 0.063 Uiso 1 1 calc R
H(32) H 0.1879 0.3235 0.1196 0.054 Uiso 1 1 calc R
H(42) H 0.3009 0.5206 0.1087 0.051 Uiso 1 1 calc R
H(110) H 0.5494 0.5385 0.0227 0.058 Uiso 1 1 calc R
H(111) H 0.4705 0.4698 0.0387 0.058 Uiso 1 1 calc R
H(116) H 0.5776 0.7056 0.0228 0.057 Uiso 1 1 calc R
H(119) H 0.6249 0.8002 -0.0141 0.063 Uiso 1 1 calc R
H(11A) H 0.4557 0.4829 0.0938 0.081 Uiso 1 1 calc R
H(11B) H 0.4299 0.5177 0.1020 0.081 Uiso 1 1 calc R
H(11C) H 0.4615 0.5302 0.0770 0.081 Uiso 1 1 calc R
H(11D) H 0.7213 0.7724 0.0107 0.059 Uiso 1 1 calc R
H(11E) H 0.6785 0.7887 0.0187 0.059 Uiso 1 1 calc R
H(121) H 0.6838 0.8314 -0.0816 0.083 Uiso 1 1 calc R
H(123) H 0.7554 0.7911 -0.0295 0.062 Uiso 1 1 calc R
H(127) H 0.4807 0.8104 -0.0386 0.175 Uiso 1 1 calc R
H(128) H 0.4357 0.8529 -0.0538 0.222 Uiso 1 1 calc R
H(129) H 0.4818 0.9256 -0.0794 0.130 Uiso 1 1 calc R
H(12A) H 0.6056 0.8631 -0.0256 0.085 Uiso 1 1 calc R
H(12B) H 0.5572 0.8051 -0.0318 0.085 Uiso 1 1 calc R
H(130) H 0.5700 0.9660 -0.0804 0.174 Uiso 1 1 calc R
H(131) H 0.6158 0.9295 -0.0629 0.156 Uiso 1 1 calc R
H(135) H 0.7619 0.7991 -0.1446 0.139 Uiso 1 1 calc R
H(136) H 0.8271 0.7921 -0.1672 0.152 Uiso 1 1 calc R
H(137) H 0.9004 0.7986 -0.1481 0.153 Uiso 1 1 calc R
H(138) H 0.9141 0.8178 -0.1077 0.134 Uiso 1 1 calc R
H(139) H 0.8486 0.8226 -0.0847 0.129 Uiso 1 1 calc R
H(13A) H 0.7630 0.8542 -0.1018 0.128 Uiso 1 1 calc R
H(13B) H 0.7225 0.7919 -0.1049 0.128 Uiso 1 1 calc R
H(15A) H 0.3242 0.4686 0.0100 0.074 Uiso 1 1 calc R
H(15B) H 0.2986 0.4057 0.0118 0.074 Uiso 1 1 calc R
H(15C) H 0.3614 0.4428 0.0092 0.074 Uiso 1 1 calc R
H(212) H 0.4010 0.3832 0.1111 0.068 Uiso 1 1 calc R
H(214) H 0.5145 0.3542 0.0851 0.078 Uiso 1 1 calc R
H(232) H 0.2603 0.3159 0.0069 0.058 Uiso 1 1 calc R
H(234) H 0.1064 0.1982 0.0013 0.082 Uiso 1 1 calc R
H(236) H 0.1660 0.2667 0.0662 0.068 Uiso 1 1 calc R
H(312) H 0.2230 0.3576 0.1555 0.072 Uiso 1 1 calc R
H(314) H 0.3074 0.3176 0.2003 0.107 Uiso 1 1 calc R
H(316) H 0.3242 0.3157 0.1271 0.077 Uiso 1 1 calc R
H(332) H 0.1119 0.2761 0.0943 0.064 Uiso 1 1 calc R
H(334) H 0.0184 0.3414 0.0841 0.074 Uiso 1 1 calc R
H(336) H 0.1780 0.4332 0.0800 0.056 Uiso 1 1 calc R
H(412) H 0.2746 0.4921 0.1473 0.066 Uiso 1 1 calc R
H(414) H 0.3567 0.4827 0.2042 0.082 Uiso 1 1 calc R
H(416) H 0.3908 0.4558 0.1366 0.063 Uiso 1 1 calc R
H(432) H 0.3002 0.5074 0.0341 0.051 Uiso 1 1 calc R
H(434) H 0.2455 0.6114 0.0323 0.058 Uiso 1 1 calc R
H(436) H 0.2347 0.5311 0.0941 0.056 Uiso 1 1 calc R
loop_
_atom_type_symbol
_atom_type_radius_bond
Ru 1.25
Cl 0.99
O 0.73
N 0.75
C 0.77
H 0.32
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
N(12) Ru(1) N(21) 88.55(19)
N(12) Ru(1) N(41) 90.14(19)
N(21) Ru(1) N(41) 178.5(2)
N(12) Ru(1) N(31) 176.94(19)
N(21) Ru(1) N(31) 94.5(2)
N(41) Ru(1) N(31) 86.84(19)
N(12) Ru(1) Ru(2) 90.40(13)
N(21) Ru(1) Ru(2) 90.41(14)
N(41) Ru(1) Ru(2) 90.26(13)
N(31) Ru(1) Ru(2) 90.17(14)
N(14) Ru(2) N(23) 88.61(18)
N(14) Ru(2) N(33) 175.93(18)
N(23) Ru(2) N(33) 89.88(18)
N(14) Ru(2) N(43) 91.07(18)
N(23) Ru(2) N(43) 174.89(19)
N(33) Ru(2) N(43) 90.09(18)
N(14) Ru(2) Ru(1) 86.96(13)
N(23) Ru(2) Ru(1) 87.25(14)
N(33) Ru(2) Ru(1) 89.19(13)
N(43) Ru(2) Ru(1) 87.64(13)
N(14) Ru(2) Cl(2) 92.84(13)
N(23) Ru(2) Cl(2) 91.58(14)
N(33) Ru(2) Cl(2) 90.98(13)
N(43) Ru(2) Cl(2) 93.53(13)
Ru(1) Ru(2) Cl(2) 178.82(4)
C(120) O(124) C(125) 115.7(5)
C(122) O(132) C(133) 117.1(6)
C(13) N(12) C(11) 120.4(5)
C(13) N(12) Ru(1) 118.8(4)
C(11) N(12) Ru(1) 120.7(4)
C(13) N(14) C(15) 118.4(5)
C(13) N(14) Ru(2) 120.0(4)
C(15) N(14) Ru(2) 121.6(4)
C(22) N(21) C(211) 121.6(5)
C(22) N(21) Ru(1) 117.0(4)
C(211) N(21) Ru(1) 121.0(4)
C(22) N(23) C(231) 119.1(5)
C(22) N(23) Ru(2) 118.2(4)
C(231) N(23) Ru(2) 122.5(4)
C(32) N(31) C(311) 118.0(5)
C(32) N(31) Ru(1) 117.6(4)
C(311) N(31) Ru(1) 119.8(4)
C(32) N(33) C(331) 116.2(5)
C(32) N(33) Ru(2) 116.5(4)
C(331) N(33) Ru(2) 127.3(4)
C(42) N(41) C(411) 121.1(5)
C(42) N(41) Ru(1) 117.9(4)
C(411) N(41) Ru(1) 121.0(4)
C(42) N(43) C(431) 117.7(5)
C(42) N(43) Ru(2) 117.1(4)
C(431) N(43) Ru(2) 125.2(3)
N(114) N(113) C(112) 109.5(5)
N(113) N(114) N(115) 107.7(5)
N(114) N(115) C(116) 110.0(5)
N(114) N(115) C(117) 119.1(5)
C(116) N(115) C(117) 130.9(5)
N(12) C(13) N(14) 118.2(5)
N(12) C(13) C(16) 119.8(5)
N(14) C(13) C(16) 122.0(5)
C(17) C(16) C(111) 119.0(6)
C(17) C(16) C(13) 119.3(5)
C(111) C(16) C(13) 121.4(6)
C(16) C(17) C(18) 120.5(6)
C(19) C(18) C(17) 120.6(6)
C(110) C(19) C(18) 118.8(6)
C(110) C(19) C(112) 119.9(6)
C(18) C(19) C(112) 121.2(6)
N(23) C(22) N(21) 121.3(6)
C(215) C(26) C(211) 119.5(6)
N(31) C(32) N(33) 123.3(6)
N(43) C(42) N(41) 122.0(6)
C(19) C(110) C(111) 120.5(6)
C(16) C(111) C(110) 120.2(6)
N(113) C(112) C(116) 107.4(6)
N(113) C(112) C(19) 122.7(6)
C(116) C(112) C(19) 129.7(6)
N(115) C(116) C(112) 105.4(5)
N(115) C(117) C(118) 110.5(5)
C(123) C(118) C(119) 120.0(6)
C(123) C(118) C(117) 120.3(6)
C(119) C(118) C(117) 119.6(6)
C(120) C(119) C(118) 120.3(6)
C(119) C(120) O(124) 124.5(6)
C(119) C(120) C(121) 120.8(7)
O(124) C(120) C(121) 114.6(6)
C(120) C(121) C(122) 119.1(7)
O(132) C(122) C(121) 125.5(6)
O(132) C(122) C(123) 114.4(7)
C(121) C(122) C(123) 120.1(6)
C(118) C(123) C(122) 119.3(6)
O(124) C(125) C(126) 108.7(6)
C(131) C(126) C(127) 115.9(9)
C(131) C(126) C(125) 122.7(8)
C(127) C(126) C(125) 121.0(8)
C(126) C(127) C(128) 121.6(10)
C(129) C(128) C(127) 118.2(12)
C(130) C(129) C(128) 119.1(11)
C(129) C(130) C(131) 122.6(10)
C(126) C(131) C(130) 121.8(9)
O(132) C(133) C(134) 108.6(8)
C(139) C(134) C(135) 118.7(9)
C(139) C(134) C(133) 124.3(9)
C(135) C(134) C(133) 117.1(10)
C(134) C(135) C(136) 119.4(12)
C(137) C(136) C(135) 120.0(12)
C(138) C(137) C(136) 120.9(12)
C(137) C(138) C(139) 119.4(12)
C(134) C(139) C(138) 121.5(11)
C(212) C(211) C(26) 118.7(6)
C(212) C(211) N(21) 117.8(6)
C(26) C(211) N(21) 123.4(6)
C(213) C(212) C(211) 120.3(6)
C(212) C(213) C(214) 121.8(7)
C(212) C(213) Cl(21) 118.6(6)
C(214) C(213) Cl(21) 119.7(6)
C(215) C(214) C(213) 116.9(7)
C(214) C(215) C(26) 122.8(6)
C(214) C(215) Cl(22) 117.0(6)
C(26) C(215) Cl(22) 120.2(5)
C(236) C(231) C(232) 120.4(6)
C(236) C(231) N(23) 118.5(6)
C(232) C(231) N(23) 121.1(6)
C(233) C(232) C(231) 119.5(6)
C(232) C(233) C(234) 121.2(6)
C(232) C(233) Cl(23) 119.8(6)
C(234) C(233) Cl(23) 119.0(5)
C(235) C(234) C(233) 117.0(6)
C(234) C(235) C(236) 123.7(7)
C(234) C(235) Cl(24) 118.0(6)
C(236) C(235) Cl(24) 118.2(6)
C(231) C(236) C(235) 118.2(7)
C(316) C(311) C(312) 120.1(6)
C(316) C(311) N(31) 118.5(6)
C(312) C(311) N(31) 121.2(6)
C(311) C(312) C(313) 119.4(7)
C(314) C(313) C(312) 122.6(8)
C(314) C(313) Cl(31) 118.7(6)
C(312) C(313) Cl(31) 118.7(7)
C(313) C(314) C(315) 117.0(8)
C(314) C(315) C(316) 121.9(8)
C(314) C(315) Cl(32) 120.2(7)
C(316) C(315) Cl(32) 118.0(8)
C(311) C(316) C(315) 119.0(8)
C(332) C(331) C(336) 119.1(6)
C(332) C(331) N(33) 122.7(6)
C(336) C(331) N(33) 118.1(5)
C(331) C(332) C(333) 118.7(6)
C(334) C(333) C(332) 122.8(6)
C(334) C(333) Cl(33) 118.7(6)
C(332) C(333) Cl(33) 118.4(6)
C(333) C(334) C(335) 117.7(7)
C(336) C(335) C(334) 121.1(6)
C(336) C(335) Cl(34) 118.8(5)
C(334) C(335) Cl(34) 120.1(6)
C(335) C(336) C(331) 120.5(6)
C(412) C(411) C(416) 119.4(6)
C(412) C(411) N(41) 122.0(6)
C(416) C(411) N(41) 118.5(5)
C(411) C(412) C(413) 119.0(7)
C(414) C(413) C(412) 122.1(7)
C(414) C(413) Cl(41) 119.2(5)
C(412) C(413) Cl(41) 118.7(6)
C(413) C(414) C(415) 118.8(6)
C(414) C(415) C(416) 121.8(7)
C(414) C(415) Cl(42) 120.7(5)
C(416) C(415) Cl(42) 117.4(6)
C(415) C(416) C(411) 118.9(6)
C(432) C(431) C(436) 119.6(5)
C(432) C(431) N(43) 118.5(5)
C(436) C(431) N(43) 121.9(5)
C(431) C(432) C(433) 118.7(5)
C(434) C(433) C(432) 123.1(6)
C(434) C(433) Cl(43) 118.9(5)
C(432) C(433) Cl(43) 118.0(5)
C(433) C(434) C(435) 116.8(6)
C(434) C(435) C(436) 122.4(6)
C(434) C(435) Cl(44) 118.8(5)
C(436) C(435) Cl(44) 118.8(5)
C(435) C(436) C(431) 119.3(5)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
Ru(1) N(12) 2.015(5)
Ru(1) N(21) 2.050(5)
Ru(1) N(41) 2.061(5)
Ru(1) N(31) 2.065(5)
Ru(1) Ru(2) 2.2968(7)
Ru(2) N(14) 2.056(5)
Ru(2) N(23) 2.085(5)
Ru(2) N(33) 2.116(5)
Ru(2) N(43) 2.133(5)
Ru(2) Cl(2) 2.4210(15)
Cl(21) C(213) 1.744(7)
Cl(22) C(215) 1.727(7)
Cl(23) C(233) 1.726(7)
Cl(24) C(235) 1.761(8)
Cl(31) C(313) 1.741(8)
Cl(32) C(315) 1.737(9)
Cl(33) C(333) 1.737(7)
Cl(34) C(335) 1.727(7)
Cl(41) C(413) 1.729(8)
Cl(42) C(415) 1.740(7)
Cl(43) C(433) 1.744(6)
Cl(44) C(435) 1.730(6)
O(124) C(120) 1.373(8)
O(124) C(125) 1.437(8)
O(132) C(122) 1.375(8)
O(132) C(133) 1.449(9)
N(12) C(13) 1.332(7)
N(12) C(11) 1.468(7)
N(14) C(13) 1.336(7)
N(14) C(15) 1.475(7)
N(21) C(22) 1.324(8)
N(21) C(211) 1.413(8)
N(23) C(22) 1.319(7)
N(23) C(231) 1.422(8)
N(31) C(32) 1.321(8)
N(31) C(311) 1.419(7)
N(33) C(32) 1.321(7)
N(33) C(331) 1.425(7)
N(41) C(42) 1.321(7)
N(41) C(411) 1.414(7)
N(43) C(42) 1.309(7)
N(43) C(431) 1.420(7)
N(113) N(114) 1.317(7)
N(113) C(112) 1.352(8)
N(114) N(115) 1.343(7)
N(115) C(116) 1.351(7)
N(115) C(117) 1.458(8)
C(13) C(16) 1.492(8)
C(16) C(17) 1.376(8)
C(16) C(111) 1.380(8)
C(17) C(18) 1.386(9)
C(18) C(19) 1.381(8)
C(19) C(110) 1.378(8)
C(19) C(112) 1.462(8)
C(26) C(215) 1.381(9)
C(26) C(211) 1.397(9)
C(110) C(111) 1.393(8)
C(112) C(116) 1.383(9)
C(117) C(118) 1.520(8)
C(118) C(123) 1.374(8)
C(118) C(119) 1.381(9)
C(119) C(120) 1.365(9)
C(120) C(121) 1.375(9)
C(121) C(122) 1.389(10)
C(122) C(123) 1.396(9)
C(125) C(126) 1.500(10)
C(126) C(131) 1.338(11)
C(126) C(127) 1.373(12)
C(127) C(128) 1.410(15)
C(128) C(129) 1.363(15)
C(129) C(130) 1.290(13)
C(130) C(131) 1.375(13)
C(133) C(134) 1.501(12)
C(134) C(139) 1.357(13)
C(134) C(135) 1.392(12)
C(135) C(136) 1.413(14)
C(136) C(137) 1.364(16)
C(137) C(138) 1.343(15)
C(138) C(139) 1.410(12)
C(211) C(212) 1.388(8)
C(212) C(213) 1.385(9)
C(213) C(214) 1.389(9)
C(214) C(215) 1.381(9)
C(231) C(236) 1.377(9)
C(231) C(232) 1.390(8)
C(232) C(233) 1.381(9)
C(233) C(234) 1.399(10)
C(234) C(235) 1.365(10)
C(235) C(236) 1.379(9)
C(311) C(316) 1.368(9)
C(311) C(312) 1.382(9)
C(312) C(313) 1.387(9)
C(313) C(314) 1.364(12)
C(314) C(315) 1.389(12)
C(315) C(316) 1.405(10)
C(331) C(332) 1.388(8)
C(331) C(336) 1.399(9)
C(332) C(333) 1.391(9)
C(333) C(334) 1.375(10)
C(334) C(335) 1.385(9)
C(335) C(336) 1.377(9)
C(411) C(412) 1.388(9)
C(411) C(416) 1.398(9)
C(412) C(413) 1.394(9)
C(413) C(414) 1.357(10)
C(414) C(415) 1.364(10)
C(415) C(416) 1.391(8)
C(431) C(432) 1.386(8)
C(431) C(436) 1.391(8)
C(432) C(433) 1.389(8)
C(433) C(434) 1.376(8)
C(434) C(435) 1.376(8)
C(435) C(436) 1.389(8)
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
N(12) Ru(1) Ru(2) N(14) 17.71(19)
N(21) Ru(1) Ru(2) N(14) -70.85(19)
N(41) Ru(1) Ru(2) N(14) 107.85(19)
N(31) Ru(1) Ru(2) N(14) -165.30(19)
N(12) Ru(1) Ru(2) N(23) 106.46(19)
N(21) Ru(1) Ru(2) N(23) 17.91(19)
N(41) Ru(1) Ru(2) N(23) -163.39(19)
N(31) Ru(1) Ru(2) N(23) -76.55(19)
N(12) Ru(1) Ru(2) N(33) -163.62(19)
N(21) Ru(1) Ru(2) N(33) 107.83(19)
N(41) Ru(1) Ru(2) N(33) -73.47(18)
N(31) Ru(1) Ru(2) N(33) 13.37(19)
N(12) Ru(1) Ru(2) N(43) -73.49(19)
N(21) Ru(1) Ru(2) N(43) -162.05(19)
N(41) Ru(1) Ru(2) N(43) 16.65(18)
N(31) Ru(1) Ru(2) N(43) 103.50(19)
N(12) Ru(1) Ru(2) Cl(2) 98(2)
N(21) Ru(1) Ru(2) Cl(2) 9(2)
N(41) Ru(1) Ru(2) Cl(2) -172(17)
N(31) Ru(1) Ru(2) Cl(2) -85(2)
N(21) Ru(1) N(12) C(13) 69.9(4)
N(41) Ru(1) N(12) C(13) -110.8(4)
N(31) Ru(1) N(12) C(13) -121(4)
Ru(2) Ru(1) N(12) C(13) -20.5(4)
N(21) Ru(1) N(12) C(11) -114.3(5)
N(41) Ru(1) N(12) C(11) 65.1(5)
N(31) Ru(1) N(12) C(11) 55(4)
Ru(2) Ru(1) N(12) C(11) 155.3(4)
N(23) Ru(2) N(14) C(13) -108.6(4)
N(33) Ru(2) N(14) C(13) -40(3)
N(43) Ru(2) N(14) C(13) 66.3(4)
Ru(1) Ru(2) N(14) C(13) -21.3(4)
Cl(2) Ru(2) N(14) C(13) 159.9(4)
N(23) Ru(2) N(14) C(15) 67.9(4)
N(33) Ru(2) N(14) C(15) 136(2)
N(43) Ru(2) N(14) C(15) -117.2(4)
Ru(1) Ru(2) N(14) C(15) 155.2(4)
Cl(2) Ru(2) N(14) C(15) -23.6(4)
N(12) Ru(1) N(21) C(22) -110.0(4)
N(41) Ru(1) N(21) C(22) -137(7)
N(31) Ru(1) N(21) C(22) 70.6(5)
Ru(2) Ru(1) N(21) C(22) -19.6(4)
N(12) Ru(1) N(21) C(211) 62.7(5)
N(41) Ru(1) N(21) C(211) 36(8)
N(31) Ru(1) N(21) C(211) -116.7(5)
Ru(2) Ru(1) N(21) C(211) 153.1(4)
N(14) Ru(2) N(23) C(22) 64.8(4)
N(33) Ru(2) N(23) C(22) -111.5(4)
N(43) Ru(2) N(23) C(22) -22(2)
Ru(1) Ru(2) N(23) C(22) -22.3(4)
Cl(2) Ru(2) N(23) C(22) 157.6(4)
N(14) Ru(2) N(23) C(231) -110.3(5)
N(33) Ru(2) N(23) C(231) 73.5(5)
N(43) Ru(2) N(23) C(231) 163(2)
Ru(1) Ru(2) N(23) C(231) 162.7(4)
Cl(2) Ru(2) N(23) C(231) -17.5(4)
N(12) Ru(1) N(31) C(32) 84(4)
N(21) Ru(1) N(31) C(32) -107.6(4)
N(41) Ru(1) N(31) C(32) 73.1(4)
Ru(2) Ru(1) N(31) C(32) -17.2(4)
N(12) Ru(1) N(31) C(311) -72(4)
N(21) Ru(1) N(31) C(311) 97.0(5)
N(41) Ru(1) N(31) C(311) -82.4(5)
Ru(2) Ru(1) N(31) C(311) -172.6(4)
N(14) Ru(2) N(33) C(32) 5(3)
N(23) Ru(2) N(33) C(32) 73.4(4)
N(43) Ru(2) N(33) C(32) -101.5(4)
Ru(1) Ru(2) N(33) C(32) -13.9(4)
Cl(2) Ru(2) N(33) C(32) 165.0(4)
N(14) Ru(2) N(33) C(331) -176(30)
N(23) Ru(2) N(33) C(331) -107.6(5)
N(43) Ru(2) N(33) C(331) 77.6(5)
Ru(1) Ru(2) N(33) C(331) 165.2(5)
Cl(2) Ru(2) N(33) C(331) -16.0(5)
N(12) Ru(1) N(41) C(42) 71.1(4)
N(21) Ru(1) N(41) C(42) 98(8)
N(31) Ru(1) N(41) C(42) -109.4(4)
Ru(2) Ru(1) N(41) C(42) -19.3(4)
N(12) Ru(1) N(41) C(411) -111.5(4)
N(21) Ru(1) N(41) C(411) -85(8)
N(31) Ru(1) N(41) C(411) 68.0(4)
Ru(2) Ru(1) N(41) C(411) 158.1(4)
N(14) Ru(2) N(43) C(42) -107.0(4)
N(23) Ru(2) N(43) C(42) -21(2)
N(33) Ru(2) N(43) C(42) 69.1(4)
Ru(1) Ru(2) N(43) C(42) -20.1(4)
Cl(2) Ru(2) N(43) C(42) 160.1(4)
N(14) Ru(2) N(43) C(431) 74.7(5)
N(23) Ru(2) N(43) C(431) 161(2)
N(33) Ru(2) N(43) C(431) -109.2(5)
Ru(1) Ru(2) N(43) C(431) 161.6(4)
Cl(2) Ru(2) N(43) C(431) -18.2(4)
C(112) N(113) N(114) N(115) 1.3(7)
N(113) N(114) N(115) C(116) -1.5(7)
N(113) N(114) N(115) C(117) -178.6(5)
C(11) N(12) C(13) N(14) -166.7(5)
Ru(1) N(12) C(13) N(14) 9.1(7)
C(11) N(12) C(13) C(16) 10.9(8)
Ru(1) N(12) C(13) C(16) -173.3(4)
C(15) N(14) C(13) N(12) -165.3(5)
Ru(2) N(14) C(13) N(12) 11.3(7)
C(15) N(14) C(13) C(16) 17.1(8)
Ru(2) N(14) C(13) C(16) -166.2(4)
N(12) C(13) C(16) C(17) -110.8(6)
N(14) C(13) C(16) C(17) 66.7(8)
N(12) C(13) C(16) C(111) 63.0(8)
N(14) C(13) C(16) C(111) -119.5(6)
C(111) C(16) C(17) C(18) -6.4(9)
C(13) C(16) C(17) C(18) 167.5(6)
C(16) C(17) C(18) C(19) 1.6(10)
C(17) C(18) C(19) C(110) 3.6(9)
C(17) C(18) C(19) C(112) -171.3(6)
C(231) N(23) C(22) N(21) -171.7(5)
Ru(2) N(23) C(22) N(21) 13.1(8)
C(211) N(21) C(22) N(23) -165.6(6)
Ru(1) N(21) C(22) N(23) 7.1(8)
C(311) N(31) C(32) N(33) 166.5(5)
Ru(1) N(31) C(32) N(33) 10.7(7)
C(331) N(33) C(32) N(31) -175.0(5)
Ru(2) N(33) C(32) N(31) 4.2(7)
C(431) N(43) C(42) N(41) -170.9(5)
Ru(2) N(43) C(42) N(41) 10.7(7)
C(411) N(41) C(42) N(43) -169.3(5)
Ru(1) N(41) C(42) N(43) 8.1(7)
C(18) C(19) C(110) C(111) -3.9(9)
C(112) C(19) C(110) C(111) 171.1(5)
C(17) C(16) C(111) C(110) 6.1(9)
C(13) C(16) C(111) C(110) -167.7(5)
C(19) C(110) C(111) C(16) -0.9(9)
N(114) N(113) C(112) C(116) -0.7(7)
N(114) N(113) C(112) C(19) -175.7(5)
C(110) C(19) C(112) N(113) 30.7(9)
C(18) C(19) C(112) N(113) -154.5(6)
C(110) C(19) C(112) C(116) -143.1(7)
C(18) C(19) C(112) C(116) 31.8(10)
N(114) N(115) C(116) C(112) 1.1(7)
C(117) N(115) C(116) C(112) 177.8(6)
N(113) C(112) C(116) N(115) -0.2(7)
C(19) C(112) C(116) N(115) 174.3(6)
N(114) N(115) C(117) C(118) 78.6(7)
C(116) N(115) C(117) C(118) -97.9(7)
N(115) C(117) C(118) C(123) -99.6(7)
N(115) C(117) C(118) C(119) 76.6(7)
C(123) C(118) C(119) C(120) 1.2(10)
C(117) C(118) C(119) C(120) -174.9(6)
C(118) C(119) C(120) O(124) -178.6(6)
C(118) C(119) C(120) C(121) 3.3(11)
C(125) O(124) C(120) C(119) 11.5(10)
C(125) O(124) C(120) C(121) -170.3(7)
C(119) C(120) C(121) C(122) -3.3(11)
O(124) C(120) C(121) C(122) 178.4(6)
C(133) O(132) C(122) C(121) -8.2(11)
C(133) O(132) C(122) C(123) 173.5(7)
C(120) C(121) C(122) O(132) -179.3(7)
C(120) C(121) C(122) C(123) -1.1(11)
C(119) C(118) C(123) C(122) -5.6(9)
C(117) C(118) C(123) C(122) 170.6(6)
O(132) C(122) C(123) C(118) -176.1(6)
C(121) C(122) C(123) C(118) 5.5(10)
C(120) O(124) C(125) C(126) 169.8(6)
O(124) C(125) C(126) C(131) -57.7(11)
O(124) C(125) C(126) C(127) 129.6(10)
C(131) C(126) C(127) C(128) 3.1(19)
C(125) C(126) C(127) C(128) 176.2(12)
C(126) C(127) C(128) C(129) 4(2)
C(127) C(128) C(129) C(130) -9(2)
C(128) C(129) C(130) C(131) 6(2)
C(127) C(126) C(131) C(130) -6.2(18)
C(125) C(126) C(131) C(130) -179.3(11)
C(129) C(130) C(131) C(126) 2(2)
C(122) O(132) C(133) C(134) -174.3(7)
O(132) C(133) C(134) C(139) -19.4(14)
O(132) C(133) C(134) C(135) 161.0(8)
C(139) C(134) C(135) C(136) -1.1(15)
C(133) C(134) C(135) C(136) 178.5(9)
C(134) C(135) C(136) C(137) 1.1(17)
C(135) C(136) C(137) C(138) -2(2)
C(136) C(137) C(138) C(139) 2.9(18)
C(135) C(134) C(139) C(138) 2.0(15)
C(133) C(134) C(139) C(138) -177.6(9)
C(137) C(138) C(139) C(134) -2.9(16)
C(215) C(26) C(211) C(212) -0.2(10)
C(215) C(26) C(211) N(21) 176.9(6)
C(22) N(21) C(211) C(212) -163.1(6)
Ru(1) N(21) C(211) C(212) 24.5(8)
C(22) N(21) C(211) C(26) 19.8(9)
Ru(1) N(21) C(211) C(26) -152.6(5)
C(26) C(211) C(212) C(213) 1.1(10)
N(21) C(211) C(212) C(213) -176.1(6)
C(211) C(212) C(213) C(214) -1.8(11)
C(211) C(212) C(213) Cl(21) 178.9(5)
C(212) C(213) C(214) C(215) 1.4(11)
Cl(21) C(213) C(214) C(215) -179.3(5)
C(213) C(214) C(215) C(26) -0.5(11)
C(213) C(214) C(215) Cl(22) 177.3(6)
C(211) C(26) C(215) C(214) -0.2(11)
C(211) C(26) C(215) Cl(22) -177.9(5)
C(22) N(23) C(231) C(236) 105.8(7)
Ru(2) N(23) C(231) C(236) -79.2(7)
C(22) N(23) C(231) C(232) -72.9(8)
Ru(2) N(23) C(231) C(232) 102.2(6)
C(236) C(231) C(232) C(233) -0.4(9)
N(23) C(231) C(232) C(233) 178.2(6)
C(231) C(232) C(233) C(234) 1.2(10)
C(231) C(232) C(233) Cl(23) -178.0(5)
C(232) C(233) C(234) C(235) -0.1(10)
Cl(23) C(233) C(234) C(235) 179.0(5)
C(233) C(234) C(235) C(236) -1.7(11)
C(233) C(234) C(235) Cl(24) 178.6(5)
C(232) C(231) C(236) C(235) -1.3(10)
N(23) C(231) C(236) C(235) -179.9(6)
C(234) C(235) C(236) C(231) 2.4(11)
Cl(24) C(235) C(236) C(231) -177.9(5)
C(32) N(31) C(311) C(316) 149.2(6)
Ru(1) N(31) C(311) C(316) -55.5(7)
C(32) N(31) C(311) C(312) -35.3(9)
Ru(1) N(31) C(311) C(312) 120.0(6)
C(316) C(311) C(312) C(313) 1.0(10)
N(31) C(311) C(312) C(313) -174.4(6)
C(311) C(312) C(313) C(314) 1.1(12)
C(311) C(312) C(313) Cl(31) 178.8(6)
C(312) C(313) C(314) C(315) -1.4(14)
Cl(31) C(313) C(314) C(315) -179.1(7)
C(313) C(314) C(315) C(316) -0.4(14)
C(313) C(314) C(315) Cl(32) 177.7(7)
C(312) C(311) C(316) C(315) -2.7(10)
N(31) C(311) C(316) C(315) 172.8(6)
C(314) C(315) C(316) C(311) 2.4(12)
Cl(32) C(315) C(316) C(311) -175.7(6)
C(32) N(33) C(331) C(332) -48.3(8)
Ru(2) N(33) C(331) C(332) 132.7(5)
C(32) N(33) C(331) C(336) 129.4(6)
Ru(2) N(33) C(331) C(336) -49.6(7)
C(336) C(331) C(332) C(333) 0.1(9)
N(33) C(331) C(332) C(333) 177.8(5)
C(331) C(332) C(333) C(334) -0.7(10)
C(331) C(332) C(333) Cl(33) -179.4(5)
C(332) C(333) C(334) C(335) 0.6(10)
Cl(33) C(333) C(334) C(335) 179.3(5)
C(333) C(334) C(335) C(336) 0.0(10)
C(333) C(334) C(335) Cl(34) -179.3(5)
C(334) C(335) C(336) C(331) -0.5(9)
Cl(34) C(335) C(336) C(331) 178.8(4)
C(332) C(331) C(336) C(335) 0.4(9)
N(33) C(331) C(336) C(335) -177.3(5)
C(42) N(41) C(411) C(412) 32.6(9)
Ru(1) N(41) C(411) C(412) -144.8(5)
C(42) N(41) C(411) C(416) -150.8(6)
Ru(1) N(41) C(411) C(416) 31.9(7)
C(416) C(411) C(412) C(413) -0.1(10)
N(41) C(411) C(412) C(413) 176.4(6)
C(411) C(412) C(413) C(414) -2.1(11)
C(411) C(412) C(413) Cl(41) -178.6(5)
C(412) C(413) C(414) C(415) 2.8(12)
Cl(41) C(413) C(414) C(415) 179.2(6)
C(413) C(414) C(415) C(416) -1.1(11)
C(413) C(414) C(415) Cl(42) -178.8(6)
C(414) C(415) C(416) C(411) -1.1(10)
Cl(42) C(415) C(416) C(411) 176.7(5)
C(412) C(411) C(416) C(415) 1.7(10)
N(41) C(411) C(416) C(415) -175.0(6)
C(42) N(43) C(431) C(432) 138.7(6)
Ru(2) N(43) C(431) C(432) -42.9(7)
C(42) N(43) C(431) C(436) -42.2(8)
Ru(2) N(43) C(431) C(436) 136.1(5)
C(436) C(431) C(432) C(433) 2.4(9)
N(43) C(431) C(432) C(433) -178.5(5)
C(431) C(432) C(433) C(434) -0.4(9)
C(431) C(432) C(433) Cl(43) -179.8(4)
C(432) C(433) C(434) C(435) -1.1(9)
Cl(43) C(433) C(434) C(435) 178.3(5)
C(433) C(434) C(435) C(436) 0.6(10)
C(433) C(434) C(435) Cl(44) -177.8(5)
C(434) C(435) C(436) C(431) 1.4(10)
Cl(44) C(435) C(436) C(431) 179.8(5)
C(432) C(431) C(436) C(435) -2.9(9)
N(43) C(431) C(436) C(435) 178.0(6)
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
1 -0.093 -0.131 -0.004 9811.1 389.8
2 0.000 0.000 0.500 213.2 12.3
3 0.667 0.333 0.833 215.9 11.7
4 0.333 0.667 0.167 215.9 11.6
