#------------------------------------------------------------------------------
#$Date: 2016-03-23 02:38:41 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179196 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/35/4313556.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_4313556
loop_
_publ_author_name
'Joe Otsuki'
'Nobuyuki Omokawa'
'Kenji Yoshiba'
'Isao Yoshikawa'
'Tetsuo Akasaka'
'Tomoyoshi Suenobu'
'Toshio Takido'
'Koji Araki'
'Shunichi Fukuzumi'
_publ_section_title
;
 Synthesis and Structural, Electrochemical, and Optical Properties of
 Ru(II) Complexes with Azobis(2,2'-bipyridine)s
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3057
_journal_page_last               3066
_journal_paper_doi               10.1021/ic026040g
_journal_volume                  42
_journal_year                    2003
_chemical_formula_sum            'C60 H50 F24 N14 P4 Ru2'
_chemical_formula_weight         1749.16
_chemical_name_systematic
; 
? 
;
_space_group_IT_number           9
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 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                 106.5200(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   38.8260(7)
_cell_length_b                   15.7020(3)
_cell_length_c                   27.5720(4)
_cell_measurement_reflns_used    86620
_cell_measurement_temperature    301(2)
_cell_measurement_theta_max      73.08
_cell_measurement_theta_min      2.37
_cell_volume                     16115.3(5)
_computing_cell_refinement       ScalePack
_computing_data_collection       'MacScience Xpress'
_computing_data_reduction        'Denzo and Scalepack'
_computing_molecular_graphics    maXus
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      301(2)
_diffrn_measured_fraction_theta_full 0.876
_diffrn_measured_fraction_theta_max 0.876
_diffrn_measurement_device_type  'MacScience DIP labo'
_diffrn_measurement_method       IP
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54180
_diffrn_reflns_av_R_equivalents  0.031
_diffrn_reflns_av_sigmaI/netI    0.0561
_diffrn_reflns_limit_h_max       47
_diffrn_reflns_limit_h_min       -47
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            86620
_diffrn_reflns_theta_full        73.08
_diffrn_reflns_theta_max         73.08
_diffrn_reflns_theta_min         2.37
_exptl_absorpt_coefficient_mu    4.682
_exptl_absorpt_correction_T_max  0.7967
_exptl_absorpt_correction_T_min  0.6148
_exptl_absorpt_correction_type   integration
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.442
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             6976
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.06
_refine_diff_density_max         2.929
_refine_diff_density_min         -1.729
_refine_diff_density_rms         0.248
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.35(4)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   2.536
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1164
_refine_ls_number_reflns         20160
_refine_ls_number_restraints     710
_refine_ls_restrained_S_all      2.501
_refine_ls_R_factor_all          0.2832
_refine_ls_R_factor_gt           0.2235
_refine_ls_shift/su_max          0.745
_refine_ls_shift/su_mean         0.059
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.2000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.5830
_refine_ls_wR_factor_ref         0.6331
_reflns_number_gt                12348
_reflns_number_total             20160
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic026040gsi20030321_102023_2.cif
_cod_data_source_block           Ru(5,5''-azo)Ru
_cod_database_code               4313556
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'x, -y, z+1/2'
'x+1/2, y+1/2, z'
'x+1/2, -y+1/2, z+1/2'
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
N010 N 0.6131(9) 0.135(3) 0.2024(15) 0.119(15) Uani 1 1 d U . .
Ru01 Ru 0.46940(8) 0.11654(18) 0.09547(11) 0.0733(9) Uani 1 1 d U . .
N011 N 0.51380(11) 0.11733(18) 0.16231(16) 0.064(5) Uani 1 1 d RU . .
C110 C 0.54933(16) 0.12400(19) 0.16093(16) 0.094(14) Uani 1 1 d RU . .
C111 C 0.5769(2) 0.13310(19) 0.2058(2) 0.093(12) Uani 1 1 d RU . .
C112 C 0.56901(19) 0.13554(19) 0.2520(3) 0.135(18) Uani 1 1 d RU . .
C113 C 0.53348(14) 0.12887(19) 0.2534(3) 0.108(13) Uani 1 1 d RU . .
C114 C 0.50588(10) 0.11977(19) 0.2086(2) 0.076(9) Uani 1 1 d RU . .
N012 N 0.44532(9) 0.13534(19) 0.14773(14) 0.075(6) Uani 1 1 d RU . .
C115 C 0.46804(8) 0.12620(19) 0.1967(2) 0.113(16) Uani 1 1 d RU . .
C116 C 0.45398(8) 0.12884(19) 0.2380(3) 0.14(2) Uani 1 1 d RU . .
C117 C 0.41721(12) 0.14063(19) 0.2302(3) 0.059(6) Uani 1 1 d RU . .
C118 C 0.39449(15) 0.1498(2) 0.18122(19) 0.096(13) Uani 1 1 d RU . .
C119 C 0.40854(13) 0.14713(19) 0.13999(13) 0.107(15) Uani 1 1 d RU . .
N013 N 0.42368(11) 0.12885(19) 0.03431(16) 0.093(7) Uani 1 1 d RU . .
C120 C 0.40513(13) 0.0555(2) 0.01323(18) 0.082(7) Uani 1 1 d RU . .
C121 C 0.37507(18) 0.0616(2) -0.0288(2) 0.114(12) Uani 1 1 d RU . .
C122 C 0.3636(2) 0.14115(19) -0.0497(3) 0.126(14) Uani 1 1 d RU . .
C123 C 0.38210(17) 0.2145(3) -0.0287(2) 0.106(10) Uani 1 1 d RU . .
C124 C 0.41216(12) 0.2084(3) 0.01337(18) 0.079(7) Uani 1 1 d RU . .
N014 N 0.46371(8) 0.2434(3) 0.08245(11) 0.072(5) Uani 1 1 d RU . .
C125 C 0.43456(10) 0.2711(3) 0.04319(15) 0.106(12) Uani 1 1 d RU . .
C126 C 0.43064(10) 0.3574(5) 0.03094(16) 0.097(10) Uani 1 1 d RU . .
C127 C 0.45587(8) 0.4160(6) 0.05795(13) 0.099(11) Uani 1 1 d RU . .
C128 C 0.48501(8) 0.3883(5) 0.09721(11) 0.084(10) Uani 1 1 d RU . .
C129 C 0.48893(9) 0.3020(4) 0.10946(11) 0.109(14) Uani 1 1 d RU . .
N015 N 0.49660(9) 0.08662(19) 0.04311(15) 0.097(7) Uani 1 1 d RU . .
C130 C 0.50377(10) 0.1529(2) 0.01371(18) 0.18(3) Uani 1 1 d RU . .
C131 C 0.51793(12) 0.13512(19) -0.0264(2) 0.14(2) Uani 1 1 d RU . .
C132 C 0.52490(13) 0.0511(2) -0.0370(3) 0.17(2) Uani 1 1 d RU . .
C133 C 0.51773(12) -0.0151(3) -0.0076(2) 0.144(19) Uani 1 1 d RU . .
C134 C 0.50357(10) 0.0026(3) 0.03244(16) 0.101(8) Uani 1 1 d RU . .
N016 N 0.47031(8) -0.0128(3) 0.10787(11) 0.105(7) Uani 1 1 d RU . .
C135 C 0.48758(8) -0.0454(3) 0.07391(12) 0.115(10) Uani 1 1 d RU . .
C136 C 0.49188(9) -0.1331(5) 0.07033(12) 0.19(3) Uani 1 1 d RU . .
C137 C 0.47890(8) -0.1883(6) 0.10071(11) 0.22(3) Uani 1 1 d RU . .
C138 C 0.46164(8) -0.1557(5) 0.13467(13) 0.19(3) Uani 1 1 d RU . .
C139 C 0.45734(8) -0.0679(4) 0.13825(13) 0.19(3) Uani 1 1 d RU . .
N020 N 0.6152(9) 0.124(4) 0.1627(17) 0.17(2) Uani 1 1 d U . .
Ru02 Ru 0.72134(8) 0.12271(18) 0.06798(11) 0.0741(9) Uani 1 1 d U . .
N021 N 0.70180(9) 0.12843(18) 0.13008(15) 0.058(5) Uani 1 1 d RU . .
C210 C 0.66567(12) 0.12550(18) 0.12930(15) 0.066(8) Uani 1 1 d RU . .
C211 C 0.65633(13) 0.12770(18) 0.1746(2) 0.083(11) Uani 1 1 d RU . .
C212 C 0.68313(10) 0.13283(18) 0.2208(3) 0.071(10) Uani 1 1 d RU . .
C213 C 0.71926(8) 0.13577(18) 0.2215(3) 0.096(14) Uani 1 1 d RU . .
C214 C 0.72860(8) 0.13356(18) 0.1762(2) 0.067(9) Uani 1 1 d RU . .
N022 N 0.76895(11) 0.12740(18) 0.12469(15) 0.097(8) Uani 1 1 d RU . .
C215 C 0.76370(11) 0.13351(18) 0.1727(2) 0.080(11) Uani 1 1 d RU . .
C216 C 0.79326(14) 0.14000(18) 0.2156(3) 0.097(11) Uani 1 1 d RU . .
C217 C 0.8281(2) 0.14039(18) 0.2105(3) 0.14(2) Uani 1 1 d RU . .
C218 C 0.8333(2) 0.13428(18) 0.1625(2) 0.136(19) Uani 1 1 d RU . .
C219 C 0.80376(16) 0.12779(18) 0.11960(14) 0.104(15) Uani 1 1 d RU . .
N023 N 0.74861(9) 0.13262(18) 0.01628(14) 0.093(6) Uani 1 1 d RU . .
C220 C 0.76326(11) 0.0584(2) 0.00233(15) 0.093(11) Uani 1 1 d RU . .
C221 C 0.78098(13) 0.0615(2) -0.0352(2) 0.110(15) Uani 1 1 d RU . .
C222 C 0.78405(13) 0.13875(18) -0.0588(2) 0.119(18) Uani 1 1 d RU . .
C223 C 0.76940(11) 0.2129(2) -0.0449(2) 0.092(12) Uani 1 1 d RU . .
C224 C 0.75168(9) 0.2099(2) -0.00732(16) 0.079(9) Uani 1 1 d RU . .
N024 N 0.72052(8) 0.2550(3) 0.05699(11) 0.089(7) Uani 1 1 d RU . .
C225 C 0.73687(8) 0.2798(3) 0.02013(13) 0.064(6) Uani 1 1 d RU . .
C226 C 0.73864(8) 0.3660(4) 0.00840(15) 0.119(16) Uani 1 1 d RU . .
C227 C 0.72407(8) 0.4274(5) 0.03352(12) 0.074(8) Uani 1 1 d RU . .
C228 C 0.70771(8) 0.4026(5) 0.07037(11) 0.14(2) Uani 1 1 d RU . .
C229 C 0.70594(8) 0.3165(4) 0.08211(11) 0.101(14) Uani 1 1 d RU . .
N025 N 0.67251(11) 0.10772(18) 0.01664(14) 0.075(6) Uani 1 1 d RU . .
C230 C 0.65061(14) 0.1713(2) -0.01175(17) 0.102(11) Uani 1 1 d RU . .
C231 C 0.62140(18) 0.14920(19) -0.0527(2) 0.098(13) Uani 1 1 d RU . .
C232 C 0.6141(2) 0.0635(2) -0.0653(2) 0.086(9) Uani 1 1 d RU . .
C233 C 0.63599(16) 0.0000(3) -0.0369(2) 0.096(11) Uani 1 1 d RU . .
C234 C 0.66520(12) 0.0221(2) 0.00406(15) 0.079(8) Uani 1 1 d RU . .
N026 N 0.71538(8) -0.0099(3) 0.06538(11) 0.084(6) Uani 1 1 d RU . .
C235 C 0.68407(10) -0.0487(3) 0.03570(12) 0.14(2) Uani 1 1 d RU . .
C236 C 0.67989(10) -0.1369(5) 0.03775(12) 0.178(19) Uani 1 1 d RU . .
C237 C 0.70703(8) -0.1863(5) 0.06949(11) 0.23(4) Uani 1 1 d RU . .
C238 C 0.73835(8) -0.1475(5) 0.09918(12) 0.126(15) Uani 1 1 d RU . .
C239 C 0.74252(9) -0.0593(4) 0.09712(12) 0.113(15) Uani 1 1 d RU . .
N030 N 0.5433(8) 0.3686(18) 0.2452(10) 0.075(8) Uani 1 1 d U . .
Ru03 Ru 0.68638(8) 0.38153(19) 0.36039(11) 0.0804(10) Uani 1 1 d U . .
N031 N 0.64372(12) 0.37547(19) 0.29751(16) 0.099(8) Uani 1 1 d RU . .
C310 C 0.60779(17) 0.38096(19) 0.29694(16) 0.082(9) Uani 1 1 d RU . .
C311 C 0.5808(2) 0.37934(19) 0.2511(2) 0.081(10) Uani 1 1 d RU . .
C312 C 0.5898(2) 0.3722(2) 0.2058(3) 0.104(13) Uani 1 1 d RU . .
C313 C 0.62576(14) 0.3667(2) 0.2064(3) 0.105(14) Uani 1 1 d RU . .
C314 C 0.65271(10) 0.3684(2) 0.2522(2) 0.108(13) Uani 1 1 d RU . .
N032 N 0.71198(10) 0.3689(2) 0.30018(16) 0.091(7) Uani 1 1 d RU . .
C315 C 0.68914(9) 0.3677(2) 0.2510(2) 0.065(6) Uani 1 1 d RU . .
C316 C 0.70333(9) 0.3608(2) 0.2101(3) 0.096(11) Uani 1 1 d RU . .
C317 C 0.74037(13) 0.3552(2) 0.2184(3) 0.22(4) Uani 1 1 d RU . .
C318 C 0.76321(16) 0.3564(2) 0.2675(2) 0.089(10) Uani 1 1 d RU . .
C319 C 0.74902(14) 0.3632(2) 0.30844(15) 0.076(9) Uani 1 1 d RU . .
N033 N 0.73166(12) 0.3825(2) 0.41760(15) 0.076(6) Uani 1 1 d RU . .
C320 C 0.75618(15) 0.4461(2) 0.43955(18) 0.103(12) Uani 1 1 d RU . .
C321 C 0.7855(2) 0.4271(2) 0.4808(2) 0.15(2) Uani 1 1 d RU . .
C322 C 0.7903(2) 0.3445(2) 0.5000(3) 0.130(17) Uani 1 1 d RU . .
C323 C 0.76581(17) 0.2809(3) 0.4781(2) 0.145(19) Uani 1 1 d RU . .
C324 C 0.73647(12) 0.2999(2) 0.43687(18) 0.108(14) Uani 1 1 d RU . .
N034 N 0.68928(9) 0.2534(3) 0.37498(11) 0.077(6) Uani 1 1 d RU . .
C325 C 0.71730(10) 0.2253(3) 0.41562(15) 0.070(7) Uani 1 1 d RU . .
C326 C 0.72014(10) 0.1392(5) 0.42855(16) 0.121(15) Uani 1 1 d RU . .
C327 C 0.69495(9) 0.0814(6) 0.40082(13) 0.142(18) Uani 1 1 d RU . .
C328 C 0.66693(9) 0.1095(5) 0.36018(11) 0.18(3) Uani 1 1 d RU . .
C329 C 0.66409(9) 0.1955(4) 0.34725(11) 0.088(9) Uani 1 1 d RU . .
N035 N 0.66005(10) 0.4125(2) 0.41243(14) 0.080(6) Uani 1 1 d RU . .
C330 C 0.64626(11) 0.3563(2) 0.44132(18) 0.063(6) Uani 1 1 d RU . .
C331 C 0.63120(13) 0.3876(2) 0.4780(2) 0.113(12) Uani 1 1 d RU . .
C332 C 0.62993(13) 0.4751(3) 0.4858(3) 0.113(13) Uani 1 1 d RU . .
C333 C 0.64372(12) 0.5313(3) 0.4569(2) 0.087(8) Uani 1 1 d RU . .
C334 C 0.65878(10) 0.5000(3) 0.42020(15) 0.097(12) Uani 1 1 d RU . .
N036 N 0.68337(9) 0.5144(3) 0.35723(11) 0.079(6) Uani 1 1 d RU . .
C335 C 0.66880(9) 0.5578(4) 0.39084(12) 0.109(14) Uani 1 1 d RU . .
C336 C 0.66592(9) 0.6462(5) 0.38855(12) 0.15(2) Uani 1 1 d RU . .
C337 C 0.67761(9) 0.6913(6) 0.35265(11) 0.127(16) Uani 1 1 d RU . .
C338 C 0.69218(9) 0.6479(5) 0.31904(13) 0.118(15) Uani 1 1 d RU . .
C339 C 0.69506(9) 0.5594(4) 0.32133(13) 0.115(13) Uani 1 1 d RU . .
N040 N 0.5332(7) 0.3811(13) 0.2869(8) 0.054(6) Uani 1 1 d U . .
Ru04 Ru 0.43431(8) 0.37780(19) 0.38940(11) 0.0769(10) Uani 1 1 d U . .
N041 N 0.45344(8) 0.38113(19) 0.32565(16) 0.121(10) Uani 1 1 d RU . .
C410 C 0.48962(13) 0.38574(19) 0.32933(16) 0.102(12) Uani 1 1 d RU . .
C411 C 0.50092(14) 0.38205(19) 0.2862(2) 0.096(12) Uani 1 1 d RU . .
C412 C 0.47603(11) 0.37374(19) 0.2394(3) 0.15(2) Uani 1 1 d RU . .
C413 C 0.43985(8) 0.36912(19) 0.2357(3) 0.096(12) Uani 1 1 d RU . .
C414 C 0.42855(8) 0.37281(19) 0.2788(2) 0.104(13) Uani 1 1 d RU . .
N042 N 0.38729(12) 0.37004(19) 0.33020(16) 0.089(7) Uani 1 1 d RU . .
C415 C 0.39182(11) 0.36804(19) 0.2823(2) 0.118(17) Uani 1 1 d RU . .
C416 C 0.36245(15) 0.3573(2) 0.2406(3) 0.38(9) Uani 1 1 d RU . .
C417 C 0.3285(2) 0.3486(2) 0.2467(3) 0.21(4) Uani 1 1 d RU . .
C418 C 0.3240(2) 0.3506(2) 0.2946(2) 0.18(3) Uani 1 1 d RU . .
C419 C 0.35337(17) 0.36132(19) 0.33634(15) 0.098(13) Uani 1 1 d RU . .
N043 N 0.40927(9) 0.37242(19) 0.44703(15) 0.057(4) Uani 1 1 d RU . .
C420 C 0.39620(11) 0.4349(2) 0.47232(18) 0.058(6) Uani 1 1 d RU . .
C421 C 0.37910(13) 0.4126(2) 0.5081(2) 0.061(7) Uani 1 1 d RU . .
C422 C 0.37507(13) 0.3277(2) 0.5185(3) 0.085(11) Uani 1 1 d RU . .
C423 C 0.38814(12) 0.2652(3) 0.4932(2) 0.077(8) Uani 1 1 d RU . .
C424 C 0.40524(10) 0.2876(3) 0.45750(16) 0.082(10) Uani 1 1 d RU . .
N044 N 0.43365(8) 0.2514(3) 0.39854(11) 0.071(5) Uani 1 1 d RU . .
C425 C 0.41660(9) 0.2257(3) 0.43374(13) 0.102(13) Uani 1 1 d RU . .
C426 C 0.41245(9) 0.1400(5) 0.44189(14) 0.121(18) Uani 1 1 d RU . .
C427 C 0.42535(8) 0.0800(6) 0.41485(11) 0.18(3) Uani 1 1 d RU . .
C428 C 0.44241(8) 0.1057(5) 0.37965(11) 0.076(7) Uani 1 1 d RU . .
C429 C 0.44655(8) 0.1914(4) 0.37149(11) 0.067(7) Uani 1 1 d RU . .
N045 N 0.48249(12) 0.39788(19) 0.44831(15) 0.062(5) Uani 1 1 d RU . .
C430 C 0.50248(14) 0.3324(2) 0.47605(19) 0.077(8) Uani 1 1 d RU . .
C431 C 0.5340(2) 0.3500(2) 0.5131(2) 0.098(12) Uani 1 1 d RU . .
C432 C 0.5456(2) 0.4332(2) 0.5224(3) 0.130(18) Uani 1 1 d RU . .
C433 C 0.52559(18) 0.4987(3) 0.4946(2) 0.120(15) Uani 1 1 d RU . .
C434 C 0.49405(13) 0.4811(3) 0.45762(16) 0.117(16) Uani 1 1 d RU . .
N046 N 0.43712(8) 0.5087(3) 0.38899(11) 0.097(8) Uani 1 1 d RU . .
C435 C 0.46718(10) 0.5372(3) 0.42551(12) 0.066(6) Uani 1 1 d RU . .
C436 C 0.47467(11) 0.6233(5) 0.43051(13) 0.079(7) Uani 1 1 d RU . .
C437 C 0.45210(8) 0.6809(6) 0.39900(11) 0.147(19) Uani 1 1 d RU . .
C438 C 0.42204(8) 0.6524(5) 0.36247(12) 0.113(13) Uani 1 1 d RU . .
C439 C 0.41455(9) 0.5663(4) 0.35747(12) 0.088(8) Uani 1 1 d RU . .
P001 P 0.5921(4) 0.3061(11) 0.0587(6) 0.116(5) Uiso 1 1 d U . .
F011 F 0.5536(8) 0.3023(18) 0.0152(10) 0.132(10) Uiso 1 1 d U . .
F012 F 0.5959(7) 0.2093(17) 0.0437(9) 0.118(9) Uiso 1 1 d U . .
F013 F 0.6293(9) 0.295(2) 0.1005(12) 0.161(12) Uiso 1 1 d U . .
F014 F 0.5892(11) 0.404(3) 0.0684(15) 0.186(15) Uiso 1 1 d U . .
F015 F 0.6117(10) 0.335(2) 0.0157(14) 0.177(14) Uiso 1 1 d U . .
F016 F 0.5705(8) 0.2768(19) 0.0942(11) 0.143(11) Uiso 1 1 d U . .
P002 P 0.5641(3) 0.1996(8) 0.3994(4) 0.084(3) Uiso 1 1 d DU . .
F021 F 0.5811(7) 0.2331(17) 0.3563(9) 0.146(11) Uiso 1 1 d DU . .
F022 F 0.5264(6) 0.2005(15) 0.3569(8) 0.114(8) Uiso 1 1 d DU . .
F023 F 0.5444(8) 0.1724(19) 0.4402(10) 0.165(12) Uiso 1 1 d DU . .
F024 F 0.6019(7) 0.1903(19) 0.4391(10) 0.175(13) Uiso 1 1 d DU . .
F025 F 0.5661(8) 0.1049(15) 0.3854(10) 0.132(10) Uiso 1 1 d DU . .
F026 F 0.5619(7) 0.2968(14) 0.4133(9) 0.123(9) Uiso 1 1 d DU . .
P003 P 0.5036(11) 0.887(2) 0.3011(16) 0.44(3) Uiso 1 1 d DU . .
F031 F 0.491(2) 0.833(4) 0.342(3) 0.53(6) Uiso 1 1 d DU . .
F032 F 0.501(2) 0.969(3) 0.334(2) 0.48(5) Uiso 1 1 d DU . .
F033 F 0.5146(18) 0.946(3) 0.261(2) 0.40(4) Uiso 1 1 d DU . .
F034 F 0.5105(16) 0.803(3) 0.274(2) 0.34(3) Uiso 1 1 d DU . .
F035 F 0.5433(14) 0.886(3) 0.334(2) 0.40(4) Uiso 1 1 d DU . .
F036 F 0.4630(13) 0.890(5) 0.268(3) 0.58(8) Uiso 1 1 d DU . .
P004 P 0.3494(6) 0.8764(12) 0.0966(8) 0.177(9) Uiso 1 1 d DU . .
F041 F 0.3708(9) 0.948(2) 0.1347(13) 0.240(19) Uiso 1 1 d DU . .
F042 F 0.3792(8) 0.8877(18) 0.0672(12) 0.169(14) Uiso 1 1 d DU . .
F043 F 0.3290(8) 0.809(2) 0.0564(12) 0.206(16) Uiso 1 1 d DU . .
F044 F 0.3233(10) 0.859(2) 0.1304(13) 0.24(2) Uiso 1 1 d DU . .
F045 F 0.3743(9) 0.8042(18) 0.1247(12) 0.214(16) Uiso 1 1 d DU . .
F046 F 0.3240(10) 0.951(2) 0.0691(15) 0.31(3) Uiso 1 1 d DU . .
P005 P 0.3420(3) 0.3849(7) 0.0867(4) 0.079(3) Uiso 1 1 d U . .
F051 F 0.3265(7) 0.4176(18) 0.1319(10) 0.132(9) Uiso 1 1 d U . .
F052 F 0.3780(12) 0.391(2) 0.1201(16) 0.196(16) Uiso 1 1 d U . .
F053 F 0.3576(11) 0.374(2) 0.0388(16) 0.184(16) Uiso 1 1 d U . .
F054 F 0.3022(8) 0.3931(16) 0.0493(10) 0.122(9) Uiso 1 1 d U . .
F055 F 0.3337(10) 0.291(2) 0.1021(15) 0.202(15) Uiso 1 1 d U . .
F056 F 0.3469(13) 0.485(3) 0.0782(19) 0.26(2) Uiso 1 1 d U . .
P006 P 0.3150(5) 0.6344(11) 0.3716(7) 0.145(7) Uiso 1 1 d DU . .
F061 F 0.2778(6) 0.6557(16) 0.3301(8) 0.120(8) Uiso 1 1 d DU . .
F062 F 0.3177(11) 0.7348(18) 0.3819(15) 0.30(3) Uiso 1 1 d DU . .
F063 F 0.3533(8) 0.621(2) 0.4112(13) 0.196(17) Uiso 1 1 d DU . .
F064 F 0.3075(12) 0.536(2) 0.3655(16) 0.33(3) Uiso 1 1 d DU . .
F065 F 0.2973(11) 0.635(3) 0.4157(13) 0.31(3) Uiso 1 1 d DU . .
F066 F 0.3334(9) 0.635(2) 0.3276(12) 0.24(2) Uiso 1 1 d DU . .
P007 P 0.1608(5) 0.1121(11) 0.1465(7) 0.152(6) Uiso 1 1 d DU . .
F071 F 0.1820(12) 0.101(3) 0.1044(15) 0.31(3) Uiso 1 1 d DU . .
F072 F 0.1514(15) 0.013(2) 0.137(2) 0.40(4) Uiso 1 1 d DU . .
F073 F 0.1385(14) 0.118(4) 0.1860(19) 0.500 Uiso 1 1 d DU . .
F074 F 0.1766(13) 0.204(2) 0.1576(18) 0.33(3) Uiso 1 1 d DU . .
F075 F 0.1932(11) 0.077(3) 0.1892(15) 0.33(3) Uiso 1 1 d DU . .
F076 F 0.1277(10) 0.143(3) 0.1025(16) 0.31(3) Uiso 1 1 d DU . .
P008 P 0.3058(4) 0.1122(9) 0.3649(5) 0.101(4) Uiso 1 1 d U . .
F081 F 0.2811(12) 0.102(2) 0.3978(16) 0.195(16) Uiso 1 1 d U . .
F082 F 0.2747(12) 0.093(3) 0.3124(16) 0.216(17) Uiso 1 1 d U . .
F083 F 0.3377(15) 0.118(3) 0.342(2) 0.24(2) Uiso 1 1 d U . .
F084 F 0.3307(12) 0.121(2) 0.4182(17) 0.207(17) Uiso 1 1 d U . .
F085 F 0.2921(17) 0.209(4) 0.362(2) 0.32(3) Uiso 1 1 d U . .
F086 F 0.3061(11) 0.012(3) 0.3713(15) 0.212(16) Uiso 1 1 d U . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru 0.0552 3.2960 '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
N020 N010 C111 114(3) . . ?
N012 Ru01 N014 86.1 . . ?
N012 Ru01 N016 90.9 . . ?
N014 Ru01 N016 174.9 . . ?
N012 Ru01 N015 175.0 . . ?
N014 Ru01 N015 98.7 . . ?
N016 Ru01 N015 84.5 . . ?
N012 Ru01 N013 96.1 . . ?
N014 Ru01 N013 74.9 . . ?
N016 Ru01 N013 101.3 . . ?
N015 Ru01 N013 86.7 . . ?
N012 Ru01 N011 78.5 . . ?
N014 Ru01 N011 99.7 . . ?
N016 Ru01 N011 83.7 . . ?
N015 Ru01 N011 99.0 . . ?
N013 Ru01 N011 172.8 . . ?
C110 N011 C114 120.0 . . ?
C110 N011 Ru01 122.6 . . ?
C114 N011 Ru01 117.1 . . ?
N011 C110 C111 120.0 . . ?
C110 C111 C112 120.0 . . ?
C110 C111 N010 117.7(17) . . ?
C112 C111 N010 122.2(17) . . ?
C113 C112 C111 120.0 . . ?
C112 C113 C114 120.0 . . ?
C113 C114 N011 120.0 . . ?
C113 C114 C115 133.1 . . ?
N011 C114 C115 106.0 . . ?
C115 N012 C119 120.0 . . ?
C115 N012 Ru01 113.3 . . ?
C119 N012 Ru01 126.3 . . ?
N012 C115 C116 120.0 . . ?
N012 C115 C114 124.1 . . ?
C116 C115 C114 115.8 . . ?
C115 C116 C117 120.0 . . ?
C118 C117 C116 120.0 . . ?
C117 C118 C119 120.0 . . ?
N012 C119 C118 120.0 . . ?
C120 N013 C124 120.0 . . ?
C120 N013 Ru01 118.8 . . ?
C124 N013 Ru01 121.2 . . ?
C121 C120 N013 120.0 . . ?
C120 C121 C122 120.0 . . ?
C123 C122 C121 120.0 . . ?
C122 C123 C124 120.0 . . ?
C123 C124 N013 120.0 . . ?
C123 C124 C125 131.8 . . ?
N013 C124 C125 108.2 . . ?
C125 N014 C129 120.0 . . ?
C125 N014 Ru01 117.9 . . ?
C129 N014 Ru01 122.0 . . ?
C126 C125 N014 120.0 . . ?
C126 C125 C124 122.0 . . ?
N014 C125 C124 117.6 . . ?
C127 C126 C125 120.0 . . ?
C128 C127 C126 120.0 . . ?
C127 C128 C129 120.0 . . ?
C128 C129 N014 120.0 . . ?
C130 N015 C134 120.0 . . ?
C130 N015 Ru01 117.5 . . ?
C134 N015 Ru01 122.0 . . ?
C131 C130 N015 120.0 . . ?
C132 C131 C130 120.0 . . ?
C131 C132 C133 120.0 . . ?
C134 C133 C132 120.0 . . ?
C133 C134 N015 120.0 . . ?
C133 C134 C135 140.9 . . ?
N015 C134 C135 98.8 . . ?
C135 N016 C139 120.0 . . ?
C135 N016 Ru01 103.9 . . ?
C139 N016 Ru01 136.1 . . ?
N016 C135 C136 120.0 . . ?
N016 C135 C134 130.7 . . ?
C136 C135 C134 109.2 . . ?
C137 C136 C135 120.0 . . ?
C136 C137 C138 120.0 . . ?
C139 C138 C137 120.0 . . ?
C138 C139 N016 120.0 . . ?
N010 N020 C211 98(3) . . ?
N023 Ru02 N025 95.2 . . ?
N023 Ru02 N022 89.8 . . ?
N025 Ru02 N022 173.5 . . ?
N023 Ru02 N021 168.0 . . ?
N025 Ru02 N021 95.3 . . ?
N022 Ru02 N021 80.2 . . ?
N023 Ru02 N026 97.4 . . ?
N025 Ru02 N026 77.8 . . ?
N022 Ru02 N026 97.4 . . ?
N021 Ru02 N026 90.5 . . ?
N023 Ru02 N024 79.1 . . ?
N025 Ru02 N024 92.4 . . ?
N022 Ru02 N024 92.7 . . ?
N021 Ru02 N024 94.7 . . ?
N026 Ru02 N024 169.3 . . ?
C210 N021 C214 120.0 . . ?
C210 N021 Ru02 126.2 . . ?
C214 N021 Ru02 113.8 . . ?
N021 C210 C211 120.0 . . ?
C212 C211 C210 120.0 . . ?
C212 C211 N020 131.0(18) . . ?
C210 C211 N020 109.0(18) . . ?
C213 C212 C211 120.0 . . ?
C214 C213 C212 120.0 . . ?
C215 C214 C213 124.8 . . ?
C215 C214 N021 115.2 . . ?
C213 C214 N021 120.0 . . ?
C215 N022 C219 120.0 . . ?
C215 N022 Ru02 112.4 . . ?
C219 N022 Ru02 127.6 . . ?
C214 C215 N022 118.3 . . ?
C214 C215 C216 121.7 . . ?
N022 C215 C216 120.0 . . ?
C215 C216 C217 120.0 . . ?
C218 C217 C216 120.0 . . ?
C219 C218 C217 120.0 . . ?
C218 C219 N022 120.0 . . ?
C220 N023 C224 120.0 . . ?
C220 N023 Ru02 118.0 . . ?
C224 N023 Ru02 122.0 . . ?
N023 C220 C221 120.0 . . ?
C220 C221 C222 120.0 . . ?
C223 C222 C221 120.0 . . ?
C224 C223 C222 120.0 . . ?
C223 C224 N023 120.0 . . ?
C223 C224 C225 132.3 . . ?
N023 C224 C225 107.3 . . ?
C225 N024 C229 120.0 . . ?
C225 N024 Ru02 112.9 . . ?
C229 N024 Ru02 127.1 . . ?
N024 C225 C226 120.0 . . ?
N024 C225 C224 118.1 . . ?
C226 C225 C224 121.9 . . ?
C225 C226 C227 120.0 . . ?
C228 C227 C226 120.0 . . ?
C227 C228 C229 120.0 . . ?
C228 C229 N024 120.0 . . ?
C230 N025 C234 120.0 . . ?
C230 N025 Ru02 127.3 . . ?
C234 N025 Ru02 111.6 . . ?
N025 C230 C231 120.0 . . ?
C232 C231 C230 120.0 . . ?
C233 C232 C231 120.0 . . ?
C232 C233 C234 120.0 . . ?
C233 C234 N025 120.0 . . ?
C233 C234 C235 116.4 . . ?
N025 C234 C235 123.2 . . ?
C235 N026 C239 120.0 . . ?
C235 N026 Ru02 121.5 . . ?
C239 N026 Ru02 118.3 . . ?
C236 C235 N026 120.0 . . ?
C236 C235 C234 136.7 . . ?
N026 C235 C234 102.8 . . ?
C235 C236 C237 120.0 . . ?
C238 C237 C236 120.0 . . ?
C237 C238 C239 120.0 . . ?
C238 C239 N026 120.0 . . ?
N040 N030 C311 115(2) . . ?
N033 Ru03 N031 173.7 . . ?
N033 Ru03 N035 87.0 . . ?
N031 Ru03 N035 99.3 . . ?
N033 Ru03 N034 82.3 . . ?
N031 Ru03 N034 96.2 . . ?
N035 Ru03 N034 96.1 . . ?
N033 Ru03 N036 93.0 . . ?
N031 Ru03 N036 89.4 . . ?
N035 Ru03 N036 76.0 . . ?
N034 Ru03 N036 171.1 . . ?
N033 Ru03 N032 96.5 . . ?
N031 Ru03 N032 77.4 . . ?
N035 Ru03 N032 170.8 . . ?
N034 Ru03 N032 92.8 . . ?
N036 Ru03 N032 95.3 . . ?
C310 N031 C314 120.0 . . ?
C310 N031 Ru03 125.3 . . ?
C314 N031 Ru03 114.7 . . ?
N031 C310 C311 120.0 . . ?
C312 C311 C310 120.0 . . ?
C312 C311 N030 113.3(10) . . ?
C310 C311 N030 125.7(11) . . ?
C313 C312 C311 120.0 . . ?
C312 C313 C314 120.0 . . ?
C313 C314 N031 120.0 . . ?
C313 C314 C315 118.2 . . ?
N031 C314 C315 121.7 . . ?
C315 N032 C319 120.0 . . ?
C315 N032 Ru03 116.2 . . ?
C319 N032 Ru03 123.8 . . ?
C316 C315 N032 120.0 . . ?
C316 C315 C314 130.1 . . ?
N032 C315 C314 109.8 . . ?
C315 C316 C317 120.0 . . ?
C318 C317 C316 120.0 . . ?
C319 C318 C317 120.0 . . ?
C318 C319 N032 120.0 . . ?
C320 N033 C324 120.0 . . ?
C320 N033 Ru03 133.4 . . ?
C324 N033 Ru03 106.6 . . ?
N033 C320 C321 120.0 . . ?
C322 C321 C320 120.0 . . ?
C323 C322 C321 120.0 . . ?
C324 C323 C322 120.0 . . ?
C323 C324 N033 120.0 . . ?
C323 C324 C325 111.7 . . ?
N033 C324 C325 127.7 . . ?
C325 N034 C329 120.0 . . ?
C325 N034 Ru03 117.1 . . ?
C329 N034 Ru03 122.8 . . ?
N034 C325 C326 120.0 . . ?
N034 C325 C324 105.5 . . ?
C326 C325 C324 134.4 . . ?
C325 C326 C327 120.0 . . ?
C328 C327 C326 120.0 . . ?
C327 C328 C329 120.0 . . ?
C328 C329 N034 120.0 . . ?
C330 N035 C334 120.0 . . ?
C330 N035 Ru03 127.0 . . ?
C334 N035 Ru03 112.9 . . ?
C331 C330 N035 120.0 . . ?
C330 C331 C332 120.0 . . ?
C333 C332 C331 120.0 . . ?
C332 C333 C334 120.0 . . ?
C335 C334 C333 116.8 . . ?
C335 C334 N035 122.9 . . ?
C333 C334 N035 120.0 . . ?
C335 N036 C339 120.0 . . ?
C335 N036 Ru03 119.3 . . ?
C339 N036 Ru03 120.7 . . ?
C334 C335 C336 131.8 . . ?
C334 C335 N036 108.2 . . ?
C336 C335 N036 120.0 . . ?
C337 C336 C335 120.0 . . ?
C336 C337 C338 120.0 . . ?
C339 C338 C337 120.0 . . ?
C338 C339 N036 120.0 . . ?
C411 N040 N030 122(2) . . ?
N044 Ru04 N046 173.4 . . ?
N044 Ru04 N042 90.1 . . ?
N046 Ru04 N042 95.2 . . ?
N044 Ru04 N043 80.7 . . ?
N046 Ru04 N043 94.7 . . ?
N042 Ru04 N043 95.8 . . ?
N044 Ru04 N041 98.7 . . ?
N046 Ru04 N041 86.5 . . ?
N042 Ru04 N041 77.5 . . ?
N043 Ru04 N041 173.3 . . ?
N044 Ru04 N045 95.2 . . ?
N046 Ru04 N045 79.6 . . ?
N042 Ru04 N045 174.7 . . ?
N043 Ru04 N045 85.6 . . ?
N041 Ru04 N045 101.1 . . ?
C410 N041 C414 120.0 . . ?
C410 N041 Ru04 122.4 . . ?
C414 N041 Ru04 117.5 . . ?
C411 C410 N041 120.0 . . ?
N040 C411 C412 116.5(10) . . ?
N040 C411 C410 123.4(10) . . ?
C412 C411 C410 120.0 . . ?
C411 C412 C413 120.0 . . ?
C412 C413 C414 120.0 . . ?
C413 C414 N041 120.0 . . ?
C413 C414 C415 127.6 . . ?
N041 C414 C415 112.4 . . ?
C415 N042 C419 120.0 . . ?
C415 N042 Ru04 115.5 . . ?
C419 N042 Ru04 124.4 . . ?
C416 C415 N042 120.0 . . ?
C416 C415 C414 122.9 . . ?
N042 C415 C414 117.1 . . ?
C415 C416 C417 120.0 . . ?
C416 C417 C418 120.0 . . ?
C419 C418 C417 120.0 . . ?
C418 C419 N042 120.0 . . ?
C420 N043 C424 120.0 . . ?
C420 N043 Ru04 132.3 . . ?
C424 N043 Ru04 107.6 . . ?
N043 C420 C421 120.0 . . ?
C422 C421 C420 120.0 . . ?
C421 C422 C423 120.0 . . ?
C424 C423 C422 120.0 . . ?
C425 C424 C423 117.7 . . ?
C425 C424 N043 122.3 . . ?
C423 C424 N043 120.0 . . ?
C425 N044 C429 120.0 . . ?
C425 N044 Ru04 113.8 . . ?
C429 N044 Ru04 126.1 . . ?
C424 C425 C426 124.5 . . ?
C424 C425 N044 115.5 . . ?
C426 C425 N044 120.0 . . ?
C425 C426 C427 120.0 . . ?
C428 C427 C426 120.0 . . ?
C427 C428 C429 120.0 . . ?
C428 C429 N044 120.0 . . ?
C430 N045 C434 120.0 . . ?
C430 N045 Ru04 123.1 . . ?
C434 N045 Ru04 116.8 . . ?
C431 C430 N045 120.0 . . ?
C430 C431 C432 120.0 . . ?
C433 C432 C431 120.0 . . ?
C432 C433 C434 120.0 . . ?
C433 C434 N045 120.0 . . ?
C433 C434 C435 131.2 . . ?
N045 C434 C435 108.7 . . ?
C435 N046 C439 120.0 . . ?
C435 N046 Ru04 110.8 . . ?
C439 N046 Ru04 129.2 . . ?
N046 C435 C436 120.0 . . ?
N046 C435 C434 123.9 . . ?
C436 C435 C434 115.9 . . ?
C437 C436 C435 120.0 . . ?
C436 C437 C438 120.0 . . ?
C439 C438 C437 120.0 . . ?
C438 C439 N046 120.0 . . ?
F016 P001 F014 96(2) . . ?
F016 P001 F013 93.1(18) . . ?
F014 P001 F013 95(2) . . ?
F016 P001 F012 89.3(16) . . ?
F014 P001 F012 174(2) . . ?
F013 P001 F012 87.1(17) . . ?
F016 P001 F011 84.6(16) . . ?
F014 P001 F011 93.8(19) . . ?
F013 P001 F011 171(2) . . ?
F012 P001 F011 84.7(15) . . ?
F016 P001 F015 174(2) . . ?
F014 P001 F015 86(2) . . ?
F013 P001 F015 92.3(19) . . ?
F012 P001 F015 88.7(19) . . ?
F011 P001 F015 89.8(17) . . ?
F025 P002 F024 88.9(14) . . ?
F025 P002 F026 179.5(15) . . ?
F024 P002 F026 91.4(14) . . ?
F025 P002 F023 89.3(14) . . ?
F024 P002 F023 91.4(14) . . ?
F026 P002 F023 91.1(14) . . ?
F025 P002 F022 85.7(13) . . ?
F024 P002 F022 174.5(15) . . ?
F026 P002 F022 94.0(12) . . ?
F023 P002 F022 89.9(13) . . ?
F025 P002 F021 93.9(14) . . ?
F024 P002 F021 92.6(14) . . ?
F026 P002 F021 85.7(13) . . ?
F023 P002 F021 175.0(16) . . ?
F022 P002 F021 86.5(12) . . ?
F035 P003 F036 179(2) . . ?
F035 P003 F034 89.3(18) . . ?
F036 P003 F034 91.6(19) . . ?
F035 P003 F033 89.6(19) . . ?
F036 P003 F033 91(2) . . ?
F034 P003 F033 92.2(19) . . ?
F035 P003 F032 84.0(18) . . ?
F036 P003 F032 95.1(19) . . ?
F034 P003 F032 173(2) . . ?
F033 P003 F032 90.2(19) . . ?
F035 P003 F031 92.3(19) . . ?
F036 P003 F031 87.4(19) . . ?
F034 P003 F031 91.5(19) . . ?
F033 P003 F031 176(2) . . ?
F032 P003 F031 86.3(18) . . ?
F045 P004 F046 179(2) . . ?
F045 P004 F043 88.6(16) . . ?
F046 P004 F043 92.3(18) . . ?
F045 P004 F044 89.9(16) . . ?
F046 P004 F044 89.4(17) . . ?
F043 P004 F044 91.3(16) . . ?
F045 P004 F042 83.9(15) . . ?
F046 P004 F042 96.7(17) . . ?
F043 P004 F042 90.5(16) . . ?
F044 P004 F042 173.5(19) . . ?
F045 P004 F041 93.1(17) . . ?
F046 P004 F041 86.1(17) . . ?
F043 P004 F041 176.4(19) . . ?
F044 P004 F041 91.9(16) . . ?
F042 P004 F041 86.4(15) . . ?
F052 P005 F055 97(2) . . ?
F052 P005 F054 171.3(19) . . ?
F055 P005 F054 90.8(17) . . ?
F052 P005 F053 91(2) . . ?
F055 P005 F053 106(2) . . ?
F054 P005 F053 90.0(18) . . ?
F052 P005 F056 84(2) . . ?
F055 P005 F056 170(2) . . ?
F054 P005 F056 88(2) . . ?
F053 P005 F056 84(2) . . ?
F052 P005 F051 89(2) . . ?
F055 P005 F051 86.5(18) . . ?
F054 P005 F051 88.1(15) . . ?
F053 P005 F051 167.5(17) . . ?
F056 P005 F051 83(2) . . ?
F065 P006 F066 179(2) . . ?
F065 P006 F064 89.1(17) . . ?
F066 P006 F064 91.9(17) . . ?
F065 P006 F063 89.9(17) . . ?
F066 P006 F063 89.4(17) . . ?
F064 P006 F063 92.9(16) . . ?
F065 P006 F062 82.8(16) . . ?
F066 P006 F062 96.3(17) . . ?
F064 P006 F062 171(2) . . ?
F063 P006 F062 90.6(16) . . ?
F065 P006 F061 92.8(17) . . ?
F066 P006 F061 87.8(15) . . ?
F064 P006 F061 91.5(16) . . ?
F063 P006 F061 174.9(17) . . ?
F062 P006 F061 85.4(15) . . ?
F075 P007 F074 89.6(18) . . ?
F075 P007 F076 177(2) . . ?
F074 P007 F076 93.2(18) . . ?
F075 P007 F073 89.0(18) . . ?
F074 P007 F073 94.1(18) . . ?
F076 P007 F073 91.5(19) . . ?
F075 P007 F072 82.7(17) . . ?
F074 P007 F072 171(2) . . ?
F076 P007 F072 94.6(18) . . ?
F073 P007 F072 91.2(18) . . ?
F075 P007 F071 92.1(18) . . ?
F074 P007 F071 89.5(17) . . ?
F076 P007 F071 87.2(17) . . ?
F073 P007 F071 176(2) . . ?
F072 P007 F071 85.4(16) . . ?
F081 P008 F084 76(2) . . ?
F081 P008 F083 167(3) . . ?
F084 P008 F083 91(3) . . ?
F081 P008 F086 79(2) . . ?
F084 P008 F086 90(2) . . ?
F083 P008 F086 97(2) . . ?
F081 P008 F085 83(3) . . ?
F084 P008 F085 94(3) . . ?
F083 P008 F085 102(3) . . ?
F086 P008 F085 160(3) . . ?
F081 P008 F082 94(2) . . ?
F084 P008 F082 170(3) . . ?
F083 P008 F082 97(3) . . ?
F086 P008 F082 84(2) . . ?
F085 P008 F082 89(3) . . ?
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
N010 N020 1.13(5) . ?
N010 C111 1.43(4) . ?
Ru01 N012 1.950(3) . ?
Ru01 N014 2.025(4) . ?
Ru01 N016 2.058(4) . ?
Ru01 N015 2.071(4) . ?
Ru01 N013 2.081(4) . ?
Ru01 N011 2.136(4) . ?
N011 C110 1.395(2) . ?
N011 C114 1.395(2) . ?
C110 C111 1.395(2) . ?
C111 C112 1.395(2) . ?
C112 C113 1.395(2) . ?
C113 C114 1.395(2) . ?
C114 C115 1.415(2) . ?
N012 C115 1.395(2) . ?
N012 C119 1.395(2) . ?
C115 C116 1.395(2) . ?
C116 C117 1.395(2) . ?
C117 C118 1.395(2) . ?
C118 C119 1.395(2) . ?
N013 C120 1.395(2) . ?
N013 C124 1.395(2) . ?
C120 C121 1.395(2) . ?
C121 C122 1.395(2) . ?
C122 C123 1.395(2) . ?
C123 C124 1.395(2) . ?
C124 C125 1.413(3) . ?
N014 C125 1.395(2) . ?
N014 C129 1.395(2) . ?
C125 C126 1.395(2) . ?
C126 C127 1.395(2) . ?
C127 C128 1.395(2) . ?
C128 C129 1.395(2) . ?
N015 C130 1.395(2) . ?
N015 C134 1.395(2) . ?
C130 C131 1.395(2) . ?
C131 C132 1.395(2) . ?
C132 C133 1.395(2) . ?
C133 C134 1.395(2) . ?
C134 C135 1.632(3) . ?
N016 C135 1.395(2) . ?
N016 C139 1.395(2) . ?
C135 C136 1.395(2) . ?
C136 C137 1.395(2) . ?
C137 C138 1.395(2) . ?
C138 C139 1.395(2) . ?
N020 C211 1.54(3) . ?
Ru02 N023 2.009(3) . ?
Ru02 N025 2.032(3) . ?
Ru02 N022 2.055(3) . ?
Ru02 N021 2.063(3) . ?
Ru02 N026 2.094(4) . ?
Ru02 N024 2.098(4) . ?
N021 C210 1.398(2) . ?
N021 C214 1.398(2) . ?
C210 C211 1.398(2) . ?
C211 C212 1.398(2) . ?
C212 C213 1.398(2) . ?
C213 C214 1.398(2) . ?
C214 C215 1.394(2) . ?
N022 C215 1.398(2) . ?
N022 C219 1.398(2) . ?
C215 C216 1.398(2) . ?
C216 C217 1.398(2) . ?
C217 C218 1.398(2) . ?
C218 C219 1.398(2) . ?
N023 C220 1.398(2) . ?
N023 C224 1.398(2) . ?
C220 C221 1.398(2) . ?
C221 C222 1.398(2) . ?
C222 C223 1.398(2) . ?
C223 C224 1.398(2) . ?
C224 C225 1.535(3) . ?
N024 C225 1.398(2) . ?
N024 C229 1.398(2) . ?
C225 C226 1.398(2) . ?
C226 C227 1.398(2) . ?
C227 C228 1.398(2) . ?
C228 C229 1.398(2) . ?
N025 C230 1.398(2) . ?
N025 C234 1.398(2) . ?
C230 C231 1.398(2) . ?
C231 C232 1.398(2) . ?
C232 C233 1.398(2) . ?
C233 C234 1.398(2) . ?
C234 C235 1.472(2) . ?
N026 C235 1.398(2) . ?
N026 C239 1.398(2) . ?
C235 C236 1.398(2) . ?
C236 C237 1.398(2) . ?
C237 C238 1.398(2) . ?
C238 C239 1.398(2) . ?
N030 N040 1.33(3) . ?
N030 C311 1.43(3) . ?
Ru03 N033 2.001(4) . ?
Ru03 N031 2.031(4) . ?
Ru03 N035 2.043(4) . ?
Ru03 N034 2.048(4) . ?
Ru03 N036 2.090(4) . ?
Ru03 N032 2.173(4) . ?
N031 C310 1.393(3) . ?
N031 C314 1.393(3) . ?
C310 C311 1.393(3) . ?
C311 C312 1.393(3) . ?
C312 C313 1.393(3) . ?
C313 C314 1.393(3) . ?
C314 C315 1.424(3) . ?
N032 C315 1.393(3) . ?
N032 C319 1.393(3) . ?
C315 C316 1.393(3) . ?
C316 C317 1.393(3) . ?
C317 C318 1.393(3) . ?
C318 C319 1.393(3) . ?
N033 C320 1.393(3) . ?
N033 C324 1.393(3) . ?
C320 C321 1.393(3) . ?
C321 C322 1.393(3) . ?
C322 C323 1.393(3) . ?
C323 C324 1.393(3) . ?
C324 C325 1.422(3) . ?
N034 C325 1.393(3) . ?
N034 C329 1.393(3) . ?
C325 C326 1.393(3) . ?
C326 C327 1.393(3) . ?
C327 C328 1.393(3) . ?
C328 C329 1.393(3) . ?
N035 C330 1.393(3) . ?
N035 C334 1.393(3) . ?
C330 C331 1.393(3) . ?
C331 C332 1.393(3) . ?
C332 C333 1.393(3) . ?
C333 C334 1.393(3) . ?
C334 C335 1.346(2) . ?
N036 C335 1.393(3) . ?
N036 C339 1.393(3) . ?
C335 C336 1.393(3) . ?
C336 C337 1.393(3) . ?
C337 C338 1.393(3) . ?
C338 C339 1.393(3) . ?
N040 C411 1.25(3) . ?
Ru04 N044 2.002(4) . ?
Ru04 N046 2.059(4) . ?
Ru04 N042 2.078(4) . ?
Ru04 N043 2.087(4) . ?
Ru04 N041 2.094(4) . ?
Ru04 N045 2.124(4) . ?
N041 C410 1.381(3) . ?
N041 C414 1.381(3) . ?
C410 C411 1.381(3) . ?
C411 C412 1.381(3) . ?
C412 C413 1.381(3) . ?
C413 C414 1.381(3) . ?
C414 C415 1.458(3) . ?
N042 C415 1.381(3) . ?
N042 C419 1.381(3) . ?
C415 C416 1.381(3) . ?
C416 C417 1.381(3) . ?
C417 C418 1.381(3) . ?
C418 C419 1.381(3) . ?
N043 C420 1.381(3) . ?
N043 C424 1.381(3) . ?
C420 C421 1.381(3) . ?
C421 C422 1.381(3) . ?
C422 C423 1.381(3) . ?
C423 C424 1.381(3) . ?
C424 C425 1.316(2) . ?
N044 C425 1.381(3) . ?
N044 C429 1.381(3) . ?
C425 C426 1.381(3) . ?
C426 C427 1.381(3) . ?
C427 C428 1.381(3) . ?
C428 C429 1.381(3) . ?
N045 C430 1.381(3) . ?
N045 C434 1.381(3) . ?
C430 C431 1.381(3) . ?
C431 C432 1.381(3) . ?
C432 C433 1.381(3) . ?
C433 C434 1.381(3) . ?
C434 C435 1.458(3) . ?
N046 C435 1.381(3) . ?
N046 C439 1.381(3) . ?
C435 C436 1.381(3) . ?
C436 C437 1.381(3) . ?
C437 C438 1.381(3) . ?
C438 C439 1.381(2) . ?
P001 F016 1.53(3) . ?
P001 F014 1.58(4) . ?
P001 F013 1.58(3) . ?
P001 F012 1.59(3) . ?
P001 F011 1.63(3) . ?
P001 F015 1.65(4) . ?
P002 F025 1.54(2) . ?
P002 F024 1.57(2) . ?
P002 F026 1.58(2) . ?
P002 F023 1.59(2) . ?
P002 F022 1.59(2) . ?
P002 F021 1.60(2) . ?
P003 F035 1.55(3) . ?
P003 F036 1.58(3) . ?
P003 F034 1.58(3) . ?
P003 F033 1.58(3) . ?
P003 F032 1.60(2) . ?
P003 F031 1.61(2) . ?
P004 F045 1.55(2) . ?
P004 F046 1.57(2) . ?
P004 F043 1.58(2) . ?
P004 F044 1.58(3) . ?
P004 F042 1.60(2) . ?
P004 F041 1.60(2) . ?
P005 F052 1.44(4) . ?
P005 F055 1.60(4) . ?
P005 F054 1.60(3) . ?
P005 F053 1.61(4) . ?
P005 F056 1.61(5) . ?
P005 F051 1.62(3) . ?
P006 F065 1.56(2) . ?
P006 F066 1.57(2) . ?
P006 F064 1.57(3) . ?
P006 F063 1.59(2) . ?
P006 F062 1.60(2) . ?
P006 F061 1.60(2) . ?
P007 F075 1.56(2) . ?
P007 F074 1.57(3) . ?
P007 F076 1.57(2) . ?
P007 F073 1.58(3) . ?
P007 F072 1.61(2) . ?
P007 F071 1.61(2) . ?
P008 F081 1.50(4) . ?
P008 F084 1.52(4) . ?
P008 F083 1.54(5) . ?
P008 F086 1.58(4) . ?
P008 F085 1.61(6) . ?
P008 F082 1.63(4) . ?
