#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/97/7009723.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_7009723
loop_
_publ_author_name
'Chihara, Teiji'
'Sato, Mayumi'
'Konomoto, Hiromi'
'Kamiguchi, Satoshi'
'Ogawa, Haruo'
'Wakatsuki, Yasuo'
_publ_section_title
;
 Synthesis and characterization of high-nuclearity iridium--ruthenium
 and --gold mixed-metal carbonyl clusters, [Ir7Ru3(CO)23]−,
 [Ir7Ru3(CO)23(AuPPh3)] and [Ir6Ru3(CO)21(AuPPh3)]−, possessing
 tetrahedrally capped octahedral iridium cores obtained by capping
 reactions with [Ru3(CO)12] and [AuCl(PPh3)]
;
_journal_issue                   14
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              2295
_journal_paper_doi               10.1039/b003100n
_journal_year                    2000
_chemical_formula_sum            'C65 H42 Ir7 N O23 P2 Ru3'
_chemical_formula_weight         2915.74
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                94.89(2)
_cell_angle_beta                 96.11(1)
_cell_angle_gamma                105.50(2)
_cell_formula_units_Z            2
_cell_length_a                   15.898(2)
_cell_length_b                   22.118(2)
_cell_length_c                   11.950(1)
_cell_measurement_temperature    294.2
_cell_measurement_theta_max      30.0
_cell_volume                     3997.7(8)
_computing_cell_refinement       PROCESS
_computing_data_collection       PROCESS
_computing_data_reduction        'teXsan Ver. 1.10'
_computing_publication_material  'teXsan Ver. 1.10'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    DirectMethod
_diffrn_detector_area_resol_mean 0.010000
_diffrn_measured_fraction_theta_full 0.6371
_diffrn_measured_fraction_theta_max 0.6371
_diffrn_measurement_device_type  'Rigaku RAXIS-CS Imaging Plate'
_diffrn_measurement_method       ω
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            15446
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_exptl_absorpt_coefficient_mu    12.289
_exptl_absorpt_correction_T_max  0.323
_exptl_absorpt_correction_T_min  0.183
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   Tompa_analytical
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    2.422
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
_exptl_crystal_size_max          0.415
_exptl_crystal_size_mid          0.140
_exptl_crystal_size_min          0.100
_refine_diff_density_max         1.61
_refine_diff_density_min         -1.93
_refine_ls_extinction_coef       0.00000
_refine_ls_extinction_method     'Zachariasen(1967) type 2 Gaussian isotropic'
_refine_ls_goodness_of_fit_ref   0.452
_refine_ls_hydrogen_treatment    ignored
_refine_ls_number_parameters     596
_refine_ls_number_reflns         8020
_refine_ls_R_factor_gt           0.0419
_refine_ls_shift/su_max          0.4800
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_ref         0.0482
_reflns_number_gt                8020
_reflns_number_total             0
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_data_source_file            b003100n.txt
_cod_data_source_block           '[N{P(C6H4Me-p)3}2][Ir7Ru3(CO)23]'
_cod_original_cell_volume        3997.7(9)
_cod_original_sg_symbol_H-M      'P -1         '
_cod_original_formula_sum        'C65 H42 Ir7 N O23 P2 Ru3 '
_cod_database_code               7009723
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-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_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ir1 Ir 0.16161(5) 0.31574(3) 0.02583(7) 0.0366(2) Uani 1.00 d . . .
Ir2 Ir 0.11756(5) 0.35688(4) 0.23050(7) 0.0382(2) Uani 1.00 d . . .
Ir3 Ir 0.27478(5) 0.32932(4) 0.22317(7) 0.0378(2) Uani 1.00 d . . .
Ir4 Ir 0.31626(5) 0.41223(3) 0.06662(6) 0.0323(2) Uani 1.00 d . . .
Ir5 Ir 0.16019(5) 0.43996(3) 0.07438(6) 0.0332(2) Uani 1.00 d . . .
Ir6 Ir 0.27196(5) 0.45197(3) 0.26969(6) 0.0342(2) Uani 1.00 d . . .
Ir7 Ir 0.12402(6) 0.23483(4) 0.20747(8) 0.0543(3) Uani 1.00 d . . .
Ru1 Ru 0.2010(1) 0.39641(8) -0.1304(1) 0.0390(5) Uani 1.00 d . . .
Ru2 Ru 0.1121(1) 0.47866(8) 0.2772(1) 0.0423(5) Uani 1.00 d . . .
Ru3 Ru 0.43026(10) 0.42377(8) 0.2613(1) 0.0407(5) Uani 1.00 d . . .
P1 P 0.7606(4) 0.0875(3) 0.7441(5) 0.050(2) Uani 1.00 d . . .
P2 P 0.8026(4) 0.1303(3) 0.5174(5) 0.052(2) Uani 1.00 d . . .
O1 O 0.223(1) 0.2123(8) -0.093(2) 0.087(7) Uani 1.00 d . . .
O2 O -0.024(1) 0.2647(8) -0.096(2) 0.085(6) Uani 1.00 d . . .
O3 O -0.078(1) 0.3112(9) 0.151(2) 0.089(7) Uani 1.00 d . . .
O4 O 0.102(1) 0.3333(9) 0.472(2) 0.088(7) Uani 1.00 d . . .
O5 O 0.294(1) 0.305(1) 0.464(2) 0.107(9) Uani 1.00 d . . .
O6 O 0.366(1) 0.2348(8) 0.136(2) 0.090(7) Uani 1.00 d . . .
O7 O 0.416(1) 0.3342(8) -0.060(1) 0.067(6) Uani 1.00 d . . .
O8 O 0.4199(10) 0.5405(7) 0.013(1) 0.066(5) Uani 1.00 d . . .
O9 O -0.0287(10) 0.4178(8) -0.041(1) 0.070(6) Uani 1.00 d . . .
O10 O 0.229(1) 0.5753(7) 0.030(1) 0.068(6) Uani 1.00 d . . .
O11 O 0.296(1) 0.4557(8) 0.519(2) 0.078(7) Uani 1.00 d . . .
O12 O 0.363(1) 0.5909(7) 0.269(2) 0.070(6) Uani 1.00 d . . .
O13 O 0.191(2) 0.126(1) 0.251(3) 0.15(1) Uani 1.00 d . . .
O14 O -0.061(2) 0.158(1) 0.198(2) 0.127(10) Uani 1.00 d . . .
O15 O 0.280(1) 0.3193(9) -0.288(1) 0.080(7) Uani 1.00 d . . .
O16 O 0.280(1) 0.5203(8) -0.222(2) 0.078(6) Uani 1.00 d . . .
O17 O 0.030(1) 0.368(1) -0.288(1) 0.089(7) Uani 1.00 d . . .
O18 O -0.081(1) 0.4657(9) 0.207(2) 0.082(6) Uani 1.00 d . . .
O19 O 0.166(1) 0.6208(8) 0.277(2) 0.079(7) Uani 1.00 d . . .
O20 O 0.091(1) 0.4811(10) 0.528(2) 0.089(8) Uani 1.00 d . . .
O21 O 0.498(1) 0.4209(9) 0.506(2) 0.089(7) Uani 1.00 d . . .
O22 O 0.556(1) 0.5532(8) 0.243(2) 0.077(6) Uani 1.00 d . . .
O23 O 0.552(1) 0.352(1) 0.181(2) 0.108(8) Uani 1.00 d . . .
N N 0.756(1) 0.1081(9) 0.623(2) 0.059(6) Uani 1.00 d . . .
C1 C 0.201(1) 0.2500(10) -0.046(2) 0.049(7) Uani 1.00 d . . .
C2 C 0.048(2) 0.2830(10) -0.046(2) 0.060(7) Uani 1.00 d . . .
C3 C -0.001(1) 0.328(1) 0.182(2) 0.059(7) Uani 1.00 d . . .
C4 C 0.108(1) 0.342(1) 0.377(2) 0.054(8) Uani 1.00 d . . .
C5 C 0.285(1) 0.315(1) 0.373(2) 0.049(7) Uani 1.00 d . . .
C6 C 0.331(1) 0.2699(9) 0.169(2) 0.050(7) Uani 1.00 d . . .
C7 C 0.379(1) 0.3641(10) -0.010(2) 0.045(6) Uani 1.00 d . . .
C8 C 0.380(1) 0.492(1) 0.036(2) 0.048(7) Uani 1.00 d . . .
C9 C 0.043(1) 0.4250(10) 0.003(2) 0.049(7) Uani 1.00 d . . .
C10 C 0.202(1) 0.5244(10) 0.048(2) 0.040(6) Uani 1.00 d . . .
C11 C 0.287(1) 0.4544(9) 0.425(1) 0.041(6) Uani 1.00 d . . .
C12 C 0.329(1) 0.5392(9) 0.270(2) 0.037(6) Uani 1.00 d . . .
C13 C 0.160(2) 0.165(1) 0.226(4) 0.11(1) Uani 1.00 d . . .
C14 C 0.014(2) 0.187(1) 0.200(2) 0.071(9) Uani 1.00 d . . .
C15 C 0.251(1) 0.347(1) -0.227(2) 0.058(8) Uani 1.00 d . . .
C16 C 0.248(1) 0.472(1) -0.187(2) 0.059(8) Uani 1.00 d . . .
C17 C 0.096(2) 0.378(1) -0.230(2) 0.058(8) Uani 1.00 d . . .
C18 C -0.008(2) 0.470(1) 0.234(2) 0.062(8) Uani 1.00 d . . .
C19 C 0.145(1) 0.567(1) 0.276(2) 0.050(7) Uani 1.00 d . . .
C20 C 0.100(1) 0.481(1) 0.432(2) 0.049(7) Uani 1.00 d . . .
C21 C 0.469(2) 0.422(1) 0.419(2) 0.066(9) Uani 1.00 d . . .
C22 C 0.509(1) 0.504(1) 0.254(2) 0.055(7) Uani 1.00 d . . .
C23 C 0.504(1) 0.379(1) 0.210(2) 0.057(7) Uani 1.00 d . . .
C24 C 0.8647(8) 0.0730(7) 0.796(1) 0.07390 Uiso 1.00 d . . .
C25 C 0.8931(9) 0.0275(7) 0.734(1) 0.07390 Uiso 1.00 d . . .
C26 C 0.9739(9) 0.0171(6) 0.770(1) 0.07390 Uiso 1.00 d . . .
C27 C 1.0264(7) 0.0522(6) 0.867(1) 0.07390 Uiso 1.00 d . . .
C28 C 0.9981(9) 0.0977(6) 0.929(1) 0.07390 Uiso 1.00 d . . .
C29 C 0.9172(10) 0.1081(7) 0.893(1) 0.07390 Uiso 1.00 d . . .
C30 C 1.1157(9) 0.0407(9) 0.907(2) 0.07390 Uiso 1.00 d . . .
C31 C 0.6742(9) 0.0154(6) 0.744(1) 0.0764(1) Uiso 1.00 d . . .
C32 C 0.593(1) 0.0086(6) 0.681(1) 0.07642(9) Uiso 1.00 d . . .
C33 C 0.5243(8) -0.0465(7) 0.679(1) 0.07642(1) Uiso 1.00 d . . .
C34 C 0.5379(8) -0.0949(5) 0.740(1) 0.076415(7) Uiso 1.00 d . . .
C35 C 0.6196(9) -0.0881(6) 0.803(1) 0.076(3) Uiso 1.00 d . . .
C36 C 0.6878(8) -0.0330(7) 0.805(1) 0.0764(1) Uiso 1.00 d . . .
C37 C 0.463(1) -0.1558(7) 0.738(2) 0.07642 Uiso 1.00 d . . .
C38 C 0.740(1) 0.1458(7) 0.843(1) 0.07807 Uiso 1.00 d . . .
C39 C 0.693(1) 0.1269(5) 0.933(1) 0.07807 Uiso 1.00 d . . .
C40 C 0.6802(10) 0.1722(6) 1.013(1) 0.07807 Uiso 1.00 d . . .
C41 C 0.7136(8) 0.2363(6) 1.003(1) 0.07807 Uiso 1.00 d . . .
C42 C 0.7602(10) 0.2552(6) 0.913(1) 0.07807 Uiso 1.00 d . . .
C43 C 0.773(1) 0.2099(8) 0.834(1) 0.07807 Uiso 1.00 d . . .
C44 C 0.699(1) 0.2863(8) 1.091(1) 0.07807 Uiso 1.00 d . . .
C45 C 0.9196(8) 0.1390(8) 0.535(1) 0.0802(1) Uiso 1.00 d . . .
C46 C 0.9541(9) 0.0961(7) 0.476(1) 0.08023(1) Uiso 1.00 d . . .
C47 C 1.0439(10) 0.1010(6) 0.496(1) 0.080230(8) Uiso 1.00 d . . .
C48 C 1.0990(8) 0.1488(6) 0.576(1) 0.080230(10) Uiso 1.00 d . . .
C49 C 1.0645(9) 0.1917(6) 0.635(1) 0.0802(1) Uiso 1.00 d . . .
C50 C 0.975(1) 0.1869(8) 0.614(1) 0.0802(1) Uiso 1.00 d . . .
C51 C 1.1981(8) 0.1542(10) 0.599(2) 0.080(3) Uiso 1.00 d . . .
C52 C 0.786(1) 0.2053(6) 0.488(1) 0.07833(1) Uiso 1.00 d . . .
C53 C 0.711(1) 0.2197(7) 0.523(1) 0.0783(1) Uiso 1.00 d . . .
C54 C 0.6937(8) 0.2761(7) 0.500(1) 0.0783(1) Uiso 1.00 d . . .
C55 C 0.7502(8) 0.3182(5) 0.442(1) 0.07833 Uiso 1.00 d . . .
C56 C 0.8245(9) 0.3039(7) 0.407(1) 0.07833(1) Uiso 1.00 d . . .
C57 C 0.8423(9) 0.2475(8) 0.431(2) 0.078330(7) Uiso 1.00 d . . .
C58 C 0.731(1) 0.3805(7) 0.416(2) 0.0783(1) Uiso 1.00 d . . .
C59 C 0.754(1) 0.0712(7) 0.397(1) 0.08469 Uiso 1.00 d . . .
C60 C 0.753(1) 0.0873(6) 0.287(1) 0.08469 Uiso 1.00 d . . .
C61 C 0.712(1) 0.0417(7) 0.195(1) 0.08469 Uiso 1.00 d . . .
C62 C 0.6708(8) -0.0200(6) 0.214(1) 0.08469 Uiso 1.00 d . . .
C63 C 0.671(1) -0.0360(6) 0.325(1) 0.08469 Uiso 1.00 d . . .
C64 C 0.713(1) 0.0096(8) 0.416(1) 0.08469 Uiso 1.00 d . . .
C65 C 0.625(1) -0.0703(8) 0.114(1) 0.08469 Uiso 1.00 d . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.003 0.002
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
H H 0.000 0.000
;International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.2)
;
Ir Ir -1.444 7.990
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
N N 0.006 0.003
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
O O 0.011 0.006
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
P P 0.102 0.094
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
Ru Ru -1.259 0.836
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
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_2
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
IR2 IR1 IR3 59.470001(7) 1_555 1_555 1_555 yes
IR2 IR1 IR4 89.040001(7) 1_555 1_555 1_555 yes
IR2 IR1 IR5 59.419998(7) 1_555 1_555 1_555 yes
IR2 IR1 IR7 56.910000(7) 1_555 1_555 1_555 yes
IR2 IR1 RU1 120.029999(7) 1_555 1_555 1_555 yes
IR2 IR1 C1 141.860001(7) 1_555 1_555 1_555 yes
IR2 IR1 C2 96.379997(7) 1_555 1_555 1_555 yes
IR3 IR1 IR4 59.610001(7) 1_555 1_555 1_555 yes
IR3 IR1 IR5 88.790001(7) 1_555 1_555 1_555 yes
IR3 IR1 IR7 56.599998(7) 1_555 1_555 1_555 yes
IR3 IR1 RU1 120.400002(7) 1_555 1_555 1_555 yes
IR3 IR1 C1 94.019997(7) 1_555 1_555 1_555 yes
IR3 IR1 C2 146.289993(7) 1_555 1_555 1_555 yes
IR4 IR1 IR5 58.990002(7) 1_555 1_555 1_555 yes
IR4 IR1 IR7 116.160004(7) 1_555 1_555 1_555 yes
IR4 IR1 RU1 60.799999(7) 1_555 1_555 1_555 yes
IR4 IR1 C1 100.839996(7) 1_555 1_555 1_555 yes
IR4 IR1 C2 149.919998(7) 1_555 1_555 1_555 yes
IR5 IR1 IR7 116.250000(7) 1_555 1_555 1_555 yes
IR5 IR1 RU1 60.619999(7) 1_555 1_555 1_555 yes
IR5 IR1 C1 154.289993(7) 1_555 1_555 1_555 yes
IR5 IR1 C2 98.730003(7) 1_555 1_555 1_555 yes
IR7 IR1 RU1 176.279999(7) 1_555 1_555 1_555 yes
IR7 IR1 C1 86.099998(7) 1_555 1_555 1_555 yes
IR7 IR1 C2 91.120003(7) 1_555 1_555 1_555 yes
RU1 IR1 C1 96.510002(7) 1_555 1_555 1_555 yes
RU1 IR1 C2 91.389999(7) 1_555 1_555 1_555 yes
C1 IR1 C2 93.029999(7) 1_555 1_555 1_555 yes
IR1 IR2 IR3 60.099998(7) 1_555 1_555 1_555 yes
IR1 IR2 IR5 60.369999(7) 1_555 1_555 1_555 yes
IR1 IR2 IR6 90.440002(7) 1_555 1_555 1_555 yes
IR1 IR2 IR7 64.839996(7) 1_555 1_555 1_555 yes
IR1 IR2 RU2 120.800003(7) 1_555 1_555 1_555 yes
IR1 IR2 C3 93.180000(7) 1_555 1_555 1_555 yes
IR1 IR2 C4 146.039993(7) 1_555 1_555 1_555 yes
IR3 IR2 IR5 89.699997(7) 1_555 1_555 1_555 yes
IR3 IR2 IR6 59.980000(7) 1_555 1_555 1_555 yes
IR3 IR2 IR7 59.410000(7) 1_555 1_555 1_555 yes
IR3 IR2 RU2 120.790001(7) 1_555 1_555 1_555 yes
IR3 IR2 C3 143.869995(7) 1_555 1_555 1_555 yes
IR3 IR2 C4 96.199997(7) 1_555 1_555 1_555 yes
IR5 IR2 IR6 59.709999(7) 1_555 1_555 1_555 yes
IR5 IR2 IR7 125.099998(7) 1_555 1_555 1_555 yes
IR5 IR2 RU2 60.450001(7) 1_555 1_555 1_555 yes
IR5 IR2 C3 97.680000(7) 1_555 1_555 1_555 yes
IR5 IR2 C4 149.899994(7) 1_555 1_555 1_555 yes
IR6 IR2 IR7 119.050003(7) 1_555 1_555 1_555 yes
IR6 IR2 RU2 60.810001(7) 1_555 1_555 1_555 yes
IR6 IR2 C3 151.039993(7) 1_555 1_555 1_555 yes
IR6 IR2 C4 98.139999(7) 1_555 1_555 1_555 yes
IR7 IR2 RU2 174.070007(7) 1_555 1_555 1_555 yes
IR7 IR2 C3 88.230003(7) 1_555 1_555 1_555 yes
IR7 IR2 C4 82.459999(7) 1_555 1_555 1_555 yes
RU2 IR2 C3 93.110001(7) 1_555 1_555 1_555 yes
RU2 IR2 C4 91.669998(7) 1_555 1_555 1_555 yes
C3 IR2 C4 94.779999(7) 1_555 1_555 1_555 yes
IR1 IR3 IR2 60.430000(7) 1_555 1_555 1_555 yes
IR1 IR3 IR4 60.279999(7) 1_555 1_555 1_555 yes
IR1 IR3 IR6 90.680000(7) 1_555 1_555 1_555 yes
IR1 IR3 IR7 65.180000(7) 1_555 1_555 1_555 yes
IR1 IR3 RU3 120.300003(7) 1_555 1_555 1_555 yes
IR1 IR3 C5 145.889999(7) 1_555 1_555 1_555 yes
IR1 IR3 C6 94.809998(7) 1_555 1_555 1_555 yes
IR2 IR3 IR4 89.980003(7) 1_555 1_555 1_555 yes
IR2 IR3 IR6 60.070000(7) 1_555 1_555 1_555 yes
IR2 IR3 IR7 60.029999(7) 1_555 1_555 1_555 yes
IR2 IR3 RU3 120.570000(7) 1_555 1_555 1_555 yes
IR2 IR3 C5 93.480003(7) 1_555 1_555 1_555 yes
IR2 IR3 C6 145.660004(7) 1_555 1_555 1_555 yes
IR4 IR3 IR6 59.990002(7) 1_555 1_555 1_555 yes
IR4 IR3 IR7 125.400002(7) 1_555 1_555 1_555 yes
IR4 IR3 RU3 60.029999(7) 1_555 1_555 1_555 yes
IR4 IR3 C5 147.759995(7) 1_555 1_555 1_555 yes
IR4 IR3 C6 97.860001(7) 1_555 1_555 1_555 yes
IR6 IR3 IR7 119.760002(7) 1_555 1_555 1_555 yes
IR6 IR3 RU3 60.500000(7) 1_555 1_555 1_555 yes
IR6 IR3 C5 94.480003(7) 1_555 1_555 1_555 yes
IR6 IR3 C6 150.190002(7) 1_555 1_555 1_555 yes
IR7 IR3 RU3 174.360001(7) 1_555 1_555 1_555 yes
IR7 IR3 C5 83.199997(7) 1_555 1_555 1_555 yes
IR7 IR3 C6 88.900002(7) 1_555 1_555 1_555 yes
RU3 IR3 C5 91.160004(7) 1_555 1_555 1_555 yes
RU3 IR3 C6 91.839996(7) 1_555 1_555 1_555 yes
C5 IR3 C6 97.150002(7) 1_555 1_555 1_555 yes
IR1 IR4 IR3 60.110001(7) 1_555 1_555 1_555 yes
IR1 IR4 IR5 60.669998(7) 1_555 1_555 1_555 yes
IR1 IR4 IR6 90.559998(7) 1_555 1_555 1_555 yes
IR1 IR4 RU1 58.560001(7) 1_555 1_555 1_555 yes
IR1 IR4 RU3 120.150002(7) 1_555 1_555 1_555 yes
IR1 IR4 C7 93.000000(7) 1_555 1_555 1_555 yes
IR1 IR4 C8 148.279999(7) 1_555 1_555 1_555 yes
IR3 IR4 IR5 90.040001(7) 1_555 1_555 1_555 yes
IR3 IR4 IR6 59.959999(7) 1_555 1_555 1_555 yes
IR3 IR4 RU1 118.669998(7) 1_555 1_555 1_555 yes
IR3 IR4 RU3 60.060001(7) 1_555 1_555 1_555 yes
IR3 IR4 C7 93.949997(7) 1_555 1_555 1_555 yes
IR3 IR4 C8 147.800003(7) 1_555 1_555 1_555 yes
IR5 IR4 IR6 59.970001(7) 1_555 1_555 1_555 yes
IR5 IR4 RU1 60.430000(7) 1_555 1_555 1_555 yes
IR5 IR4 RU3 120.470001(7) 1_555 1_555 1_555 yes
IR5 IR4 C7 146.550003(7) 1_555 1_555 1_555 yes
IR5 IR4 C8 96.660004(7) 1_555 1_555 1_555 yes
IR6 IR4 RU1 120.379997(7) 1_555 1_555 1_555 yes
IR6 IR4 RU3 60.500000(7) 1_555 1_555 1_555 yes
IR6 IR4 C7 146.979996(7) 1_555 1_555 1_555 yes
IR6 IR4 C8 96.599998(7) 1_555 1_555 1_555 yes
RU1 IR4 RU3 178.119995(7) 1_555 1_555 1_555 yes
RU1 IR4 C7 88.940002(7) 1_555 1_555 1_555 yes
RU1 IR4 C8 91.660004(7) 1_555 1_555 1_555 yes
RU3 IR4 C7 89.769997(7) 1_555 1_555 1_555 yes
RU3 IR4 C8 89.870003(7) 1_555 1_555 1_555 yes
C7 IR4 C8 97.400002(7) 1_555 1_555 1_555 yes
IR1 IR5 IR2 60.209999(7) 1_555 1_555 1_555 yes
IR1 IR5 IR4 60.340000(7) 1_555 1_555 1_555 yes
IR1 IR5 IR6 90.580002(7) 1_555 1_555 1_555 yes
IR1 IR5 RU1 58.490002(7) 1_555 1_555 1_555 yes
IR1 IR5 RU2 119.800003(7) 1_555 1_555 1_555 yes
IR1 IR5 C9 93.620003(7) 1_555 1_555 1_555 yes
IR1 IR5 C10 148.110001(7) 1_555 1_555 1_555 yes
IR2 IR5 IR4 90.279999(7) 1_555 1_555 1_555 yes
IR2 IR5 IR6 60.119999(7) 1_555 1_555 1_555 yes
IR2 IR5 RU1 118.680000(7) 1_555 1_555 1_555 yes
IR2 IR5 RU2 59.610001(7) 1_555 1_555 1_555 yes
IR2 IR5 C9 95.230003(7) 1_555 1_555 1_555 yes
IR2 IR5 C10 147.119995(7) 1_555 1_555 1_555 yes
IR4 IR5 IR6 60.320000(7) 1_555 1_555 1_555 yes
IR4 IR5 RU1 60.529999(7) 1_555 1_555 1_555 yes
IR4 IR5 RU2 120.980003(7) 1_555 1_555 1_555 yes
IR4 IR5 C9 145.830002(7) 1_555 1_555 1_555 yes
IR4 IR5 C10 95.919998(7) 1_555 1_555 1_555 yes
IR6 IR5 RU1 120.830002(7) 1_555 1_555 1_555 yes
IR6 IR5 RU2 60.660000(7) 1_555 1_555 1_555 yes
IR6 IR5 C9 148.250000(7) 1_555 1_555 1_555 yes
IR6 IR5 C10 95.379997(7) 1_555 1_555 1_555 yes
RU1 IR5 RU2 177.229996(7) 1_555 1_555 1_555 yes
RU1 IR5 C9 87.629997(7) 1_555 1_555 1_555 yes
RU1 IR5 C10 92.110001(7) 1_555 1_555 1_555 yes
RU2 IR5 C9 90.349998(7) 1_555 1_555 1_555 yes
RU2 IR5 C10 90.040001(7) 1_555 1_555 1_555 yes
C9 IR5 C10 97.430000(7) 1_555 1_555 1_555 yes
IR2 IR6 IR3 59.950001(7) 1_555 1_555 1_555 yes
IR2 IR6 IR4 89.949997(7) 1_555 1_555 1_555 yes
IR2 IR6 IR5 60.169998(7) 1_555 1_555 1_555 yes
IR2 IR6 RU2 59.459999(7) 1_555 1_555 1_555 yes
IR2 IR6 RU3 119.820000(7) 1_555 1_555 1_555 yes
IR2 IR6 C11 96.360001(7) 1_555 1_555 1_555 yes
IR2 IR6 C12 147.419998(7) 1_555 1_555 1_555 yes
IR3 IR6 IR4 60.060001(7) 1_555 1_555 1_555 yes
IR3 IR6 IR5 89.949997(7) 1_555 1_555 1_555 yes
IR3 IR6 RU2 119.410004(7) 1_555 1_555 1_555 yes
IR3 IR6 RU3 59.880001(7) 1_555 1_555 1_555 yes
IR3 IR6 C11 96.430000(7) 1_555 1_555 1_555 yes
IR3 IR6 C12 148.149994(7) 1_555 1_555 1_555 yes
IR4 IR6 IR5 59.700001(7) 1_555 1_555 1_555 yes
IR4 IR6 RU2 119.849998(7) 1_555 1_555 1_555 yes
IR4 IR6 RU3 59.849998(7) 1_555 1_555 1_555 yes
IR4 IR6 C11 148.029999(7) 1_555 1_555 1_555 yes
IR4 IR6 C12 96.309998(7) 1_555 1_555 1_555 yes
IR5 IR6 RU2 60.150002(7) 1_555 1_555 1_555 yes
IR5 IR6 RU3 119.550003(7) 1_555 1_555 1_555 yes
IR5 IR6 C11 148.029999(7) 1_555 1_555 1_555 yes
IR5 IR6 C12 95.849998(7) 1_555 1_555 1_555 yes
RU2 IR6 RU3 179.279999(7) 1_555 1_555 1_555 yes
RU2 IR6 C11 89.870003(7) 1_555 1_555 1_555 yes
RU2 IR6 C12 90.199997(7) 1_555 1_555 1_555 yes
RU3 IR6 C11 90.290001(7) 1_555 1_555 1_555 yes
RU3 IR6 C12 90.489998(7) 1_555 1_555 1_555 yes
C11 IR6 C12 95.000000(7) 1_555 1_555 1_555 yes
IR1 IR7 IR2 58.250000(7) 1_555 1_555 1_555 yes
IR1 IR7 IR3 58.209999(7) 1_555 1_555 1_555 yes
IR1 IR7 C13 126.279999(7) 1_555 1_555 1_555 yes
IR1 IR7 C14 116.349998(7) 1_555 1_555 1_555 yes
IR1 IR7 C94 86.419998(7) 1_555 1_555 1_456 yes
IR2 IR7 IR3 60.549999(7) 1_555 1_555 1_555 yes
IR2 IR7 C13 161.029999(7) 1_555 1_555 1_555 yes
IR2 IR7 C14 106.180000(7) 1_555 1_555 1_555 yes
IR2 IR7 C94 144.589996(7) 1_555 1_555 1_456 yes
IR3 IR7 C13 104.580002(7) 1_555 1_555 1_555 yes
IR3 IR7 C14 166.740005(7) 1_555 1_555 1_555 yes
IR3 IR7 C94 104.809998(7) 1_555 1_555 1_456 yes
C13 IR7 C14 88.349998(7) 1_555 1_555 1_555 yes
C13 IR7 C94 46.150002(7) 1_555 1_555 1_456 yes
C14 IR7 C94 86.209999(7) 1_555 1_555 1_456 yes
IR1 RU1 IR4 60.639999(7) 1_555 1_555 1_555 yes
IR1 RU1 IR5 60.900002(7) 1_555 1_555 1_555 yes
IR1 RU1 C15 98.379997(7) 1_555 1_555 1_555 yes
IR1 RU1 C16 157.839996(7) 1_555 1_555 1_555 yes
IR1 RU1 C17 103.529999(7) 1_555 1_555 1_555 yes
IR4 RU1 IR5 59.029999(7) 1_555 1_555 1_555 yes
IR4 RU1 C15 100.019997(7) 1_555 1_555 1_555 yes
IR4 RU1 C16 100.110001(7) 1_555 1_555 1_555 yes
IR4 RU1 C17 160.809998(7) 1_555 1_555 1_555 yes
IR5 RU1 C15 155.229996(7) 1_555 1_555 1_555 yes
IR5 RU1 C16 100.709999(7) 1_555 1_555 1_555 yes
IR5 RU1 C17 104.750000(7) 1_555 1_555 1_555 yes
C15 RU1 C16 95.730003(7) 1_555 1_555 1_555 yes
C15 RU1 C17 92.739998(7) 1_555 1_555 1_555 yes
C16 RU1 C17 92.739998(7) 1_555 1_555 1_555 yes
IR2 RU2 IR5 59.950001(7) 1_555 1_555 1_555 yes
IR2 RU2 IR6 59.740002(7) 1_555 1_555 1_555 yes
IR2 RU2 C18 100.839996(7) 1_555 1_555 1_555 yes
IR2 RU2 C19 157.529999(7) 1_555 1_555 1_555 yes
IR2 RU2 C20 100.300003(7) 1_555 1_555 1_555 yes
IR5 RU2 IR6 59.189999(7) 1_555 1_555 1_555 yes
IR5 RU2 C18 100.660004(7) 1_555 1_555 1_555 yes
IR5 RU2 C19 100.860001(7) 1_555 1_555 1_555 yes
IR5 RU2 C20 157.539993(7) 1_555 1_555 1_555 yes
IR6 RU2 C18 156.520004(7) 1_555 1_555 1_555 yes
IR6 RU2 C19 101.400002(7) 1_555 1_555 1_555 yes
IR6 RU2 C20 102.769997(7) 1_555 1_555 1_555 yes
C18 RU2 C19 93.900002(7) 1_555 1_555 1_555 yes
C18 RU2 C20 93.230003(7) 1_555 1_555 1_555 yes
C19 RU2 C20 95.669998(7) 1_555 1_555 1_555 yes
IR3 RU3 IR4 59.910000(7) 1_555 1_555 1_555 yes
IR3 RU3 IR6 59.630001(7) 1_555 1_555 1_555 yes
IR3 RU3 C21 102.230003(7) 1_555 1_555 1_555 yes
IR3 RU3 C22 157.380005(7) 1_555 1_555 1_555 yes
IR3 RU3 C23 99.040001(7) 1_555 1_555 1_555 yes
IR4 RU3 IR6 59.660000(7) 1_555 1_555 1_555 yes
IR4 RU3 C21 158.729996(7) 1_555 1_555 1_555 yes
IR4 RU3 C22 100.169998(7) 1_555 1_555 1_555 yes
IR4 RU3 C23 100.129997(7) 1_555 1_555 1_555 yes
IR6 RU3 C21 102.309998(7) 1_555 1_555 1_555 yes
IR6 RU3 C22 102.180000(7) 1_555 1_555 1_555 yes
IR6 RU3 C23 155.380005(7) 1_555 1_555 1_555 yes
C21 RU3 C22 94.510002(7) 1_555 1_555 1_555 yes
C21 RU3 C23 93.830002(7) 1_555 1_555 1_555 yes
C22 RU3 C23 94.860001(7) 1_555 1_555 1_555 yes
N P1 C119 110.410004(7) 1_555 1_555 1_555 yes
N P1 C37 114.230003(7) 1_555 1_555 1_555 yes
N P1 C53 108.760002(7) 1_555 1_555 1_555 yes
C119 P1 C37 108.639999(7) 1_555 1_555 1_555 yes
C119 P1 C53 106.820000(7) 1_555 1_555 1_555 yes
C37 P1 C53 107.690002(7) 1_555 1_555 1_555 yes
N P2 C105 108.150002(7) 1_555 1_555 1_555 yes
N P2 C153 114.150002(7) 1_555 1_555 1_555 yes
N P2 C162 109.480003(7) 1_555 1_555 1_555 yes
C105 P2 C153 107.040001(7) 1_555 1_555 1_555 yes
C105 P2 C162 109.959999(7) 1_555 1_555 1_555 yes
C153 P2 C162 108.000000(7) 1_555 1_555 1_555 yes
C6 O6 C66 109.320000(7) 1_555 1_555 1_456 yes
P1 N P2 150.639999(7) 1_555 1_555 1_555 yes
IR1 C1 O1 176.610001(7) 1_555 1_555 1_555 yes
IR1 C2 O2 176.279999(7) 1_555 1_555 1_555 yes
IR2 C3 O3 177.880005(7) 1_555 1_555 1_555 yes
IR2 C4 O4 179.009995(7) 1_555 1_555 1_555 yes
IR3 C5 O5 177.330002(7) 1_555 1_555 1_555 yes
IR3 C6 O6 178.759995(7) 1_555 1_555 1_555 yes
IR4 C7 O7 177.949997(7) 1_555 1_555 1_555 yes
IR4 C8 O8 177.169998(7) 1_555 1_555 1_555 yes
IR5 C9 O9 177.809998(7) 1_555 1_555 1_555 yes
IR5 C10 O10 177.770004(7) 1_555 1_555 1_555 yes
IR6 C11 O11 179.639999(7) 1_555 1_555 1_555 yes
IR6 C12 O12 179.449997(7) 1_555 1_555 1_555 yes
IR7 C13 O13 170.559998(7) 1_555 1_555 1_555 yes
IR7 C13 C94 85.989998(7) 1_555 1_555 1_456 yes
O13 C13 C94 101.330002(7) 1_555 1_555 1_456 yes
IR7 C14 O14 176.779999(7) 1_555 1_555 1_555 yes
RU1 C15 O15 176.869995(7) 1_555 1_555 1_555 yes
RU1 C16 O16 177.839996(7) 1_555 1_555 1_555 yes
RU1 C17 O17 177.589996(7) 1_555 1_555 1_555 yes
RU2 C18 O18 178.919998(7) 1_555 1_555 1_555 yes
RU2 C19 O19 178.770004(7) 1_555 1_555 1_555 yes
RU2 C20 O20 178.639999(7) 1_555 1_555 1_555 yes
RU3 C21 O21 174.570007(7) 1_555 1_555 1_555 yes
RU3 C22 O22 176.300003(7) 1_555 1_555 1_555 yes
RU3 C23 O23 177.759995(7) 1_555 1_555 1_555 yes
C60 C58 C76 120.000000(7) 1_555 1_555 1_555 yes
C60 C58 C107 120.000000(7) 1_555 1_555 1_555 yes
C76 C58 C107 120.000000(7) 1_555 1_555 1_555 yes
C58 C60 C104 120.000000(7) 1_555 1_555 1_555 yes
C60 C104 C105 120.000000(7) 1_555 1_555 1_555 yes
P2 C105 C104 120.889999(7) 1_555 1_555 1_555 yes
P2 C105 C106 119.040001(7) 1_555 1_555 1_555 yes
C104 C105 C106 120.000000(7) 1_555 1_555 1_555 yes
C105 C106 C76 120.000000(7) 1_555 1_555 1_555 yes
C58 C76 C106 120.000000(7) 1_555 1_555 1_555 yes
IR7 C94 C13 47.869999(7) 1_654 1_555 1_654 yes
C115 C116 C117 120.000000(7) 1_555 1_555 1_555 yes
C47 C51 C121 120.000000(7) 1_555 1_555 1_555 yes
C47 C51 C122 120.000000(7) 1_555 1_555 1_555 yes
C121 C51 C122 120.000000(7) 1_555 1_555 1_555 yes
C51 C47 C118 120.000000(7) 1_555 1_555 1_555 yes
C47 C118 C119 120.000000(7) 1_555 1_555 1_555 yes
P1 C119 C118 120.050003(7) 1_555 1_555 1_555 yes
P1 C119 C120 119.889999(7) 1_555 1_555 1_555 yes
C118 C119 C120 120.000000(7) 1_555 1_555 1_555 yes
C119 C120 C121 120.000000(7) 1_555 1_555 1_555 yes
C51 C121 C120 120.000000(7) 1_555 1_555 1_555 yes
C80 C71 C112 120.000000(7) 1_555 1_555 1_555 yes
C80 C71 C124 120.000000(7) 1_555 1_555 1_555 yes
C112 C71 C124 120.000000(7) 1_555 1_555 1_555 yes
C71 C80 C49 120.000000(7) 1_555 1_555 1_555 yes
C80 C49 C37 120.000000(7) 1_555 1_555 1_555 yes
P1 C37 C49 118.910004(7) 1_555 1_555 1_555 yes
P1 C37 C123 121.050003(7) 1_555 1_555 1_555 yes
C49 C37 C123 120.000000(7) 1_555 1_555 1_555 yes
C37 C123 C112 120.000000(7) 1_555 1_555 1_555 yes
C71 C112 C123 120.000000(7) 1_555 1_555 1_555 yes
C91 C125 C126 120.000000(7) 1_555 1_555 1_555 yes
C130 C110 C134 120.000000(7) 1_555 1_555 1_555 yes
C146 C145 C144 120.000000(7) 1_555 1_555 1_555 yes
C146 C145 C150 120.000000(7) 1_555 1_555 1_555 yes
C144 C145 C150 120.000000(7) 1_555 1_555 1_555 yes
C145 C146 C67 120.000000(7) 1_555 1_555 1_555 yes
C146 C67 C53 120.000000(7) 1_555 1_555 1_555 yes
P1 C53 C67 118.519997(7) 1_555 1_555 1_555 yes
P1 C53 C54 121.480003(7) 1_555 1_555 1_555 yes
C67 C53 C54 120.000000(7) 1_555 1_555 1_555 yes
C53 C54 C144 120.000000(7) 1_555 1_555 1_555 yes
C145 C144 C54 120.000000(7) 1_555 1_555 1_555 yes
C149 C148 C147 120.000000(7) 1_555 1_555 1_555 yes
C149 C148 C152 120.000000(7) 1_555 1_555 1_555 yes
C147 C148 C152 120.000000(7) 1_555 1_555 1_555 yes
C148 C149 C41 120.000000(7) 1_555 1_555 1_555 yes
C149 C41 C153 120.000000(7) 1_555 1_555 1_555 yes
P2 C153 C41 120.860001(7) 1_555 1_555 1_555 yes
P2 C153 C85 118.980003(7) 1_555 1_555 1_555 yes
C41 C153 C85 120.000000(7) 1_555 1_555 1_555 yes
C153 C85 C147 120.000000(7) 1_555 1_555 1_555 yes
C148 C147 C85 120.000000(7) 1_555 1_555 1_555 yes
C160 C158 C157 120.000000(7) 1_555 1_555 1_555 yes
C160 C158 C163 120.000000(7) 1_555 1_555 1_555 yes
C157 C158 C163 120.000000(7) 1_555 1_555 1_555 yes
C158 C160 C161 120.000000(7) 1_555 1_555 1_555 yes
C160 C161 C162 120.000000(7) 1_555 1_555 1_555 yes
P2 C162 C161 122.480003(7) 1_555 1_555 1_555 yes
P2 C162 C155 117.489998(7) 1_555 1_555 1_555 yes
C161 C162 C155 120.000000(7) 1_555 1_555 1_555 yes
C162 C155 C157 120.000000(7) 1_555 1_555 1_555 yes
C158 C157 C155 120.000000(7) 1_555 1_555 1_555 yes
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
IR1 IR2 2.761(1) . . yes
IR1 IR3 2.752(1) . . yes
IR1 IR4 2.757(1) . . yes
IR1 IR5 2.766(1) . . yes
IR1 IR7 2.939(1) . . yes
IR1 RU1 2.699(2) . . yes
IR1 C1 1.90(2) . . yes
IR1 C2 1.84(2) . . yes
IR2 IR3 2.735(1) . . yes
IR2 IR5 2.740(1) . . yes
IR2 IR6 2.738(1) . . yes
IR2 IR7 2.721(1) . . yes
IR2 RU2 2.730(2) . . yes
IR2 C3 1.84(2) . . yes
IR2 C4 1.82(2) . . yes
IR3 IR4 2.738(1) . . yes
IR3 IR6 2.736(1) . . yes
IR3 IR7 2.704(1) . . yes
IR3 RU3 2.742(2) . . yes
IR3 C5 1.84(2) . . yes
IR3 C6 1.89(2) . . yes
IR4 IR5 2.719(1) . . yes
IR4 IR6 2.736(1) . . yes
IR4 RU1 2.761(2) . . yes
IR4 RU3 2.742(2) . . yes
IR4 C7 1.89(2) . . yes
IR4 C8 1.86(2) . . yes
IR5 IR6 2.727(1) . . yes
IR5 RU1 2.758(2) . . yes
IR5 RU2 2.753(2) . . yes
IR5 C9 1.90(2) . . yes
IR5 C10 1.87(2) . . yes
IR6 RU2 2.767(2) . . yes
IR6 RU3 2.760(2) . . yes
IR6 C11 1.84(2) . . yes
IR6 C12 1.90(2) . . yes
IR7 C13 1.79(3) . . yes
IR7 C14 1.78(3) . . yes
RU1 C15 1.89(2) . . yes
RU1 C16 1.85(2) . . yes
RU1 C17 1.87(3) . . yes
RU2 C18 1.87(2) . . yes
RU2 C19 1.88(2) . . yes
RU2 C20 1.88(2) . . yes
RU3 C21 1.92(3) . . yes
RU3 C22 1.89(3) . . yes
RU3 C23 1.85(2) . . yes
P1 N 1.56(2) . . yes
P2 N 1.57(2) . . yes
O1 C1 1.12(2) . . yes
O2 C2 1.18(3) . . yes
O3 C3 1.18(2) . . yes
O4 C4 1.18(2) . . yes
O5 C5 1.14(2) . . yes
O6 C6 1.14(2) . . yes
O7 C7 1.16(2) . . yes
O8 C8 1.17(2) . . yes
O9 C9 1.16(2) . . yes
O10 C10 1.14(2) . . yes
O11 C11 1.12(2) . . yes
O12 C12 1.13(2) . . yes
O13 C13 1.16(3) . . yes
O14 C14 1.18(3) . . yes
O15 C15 1.13(2) . . yes
O16 C16 1.19(3) . . yes
O17 C17 1.15(3) . . yes
O18 C18 1.15(2) . . yes
O19 C19 1.15(2) . . yes
O20 C20 1.17(2) . . yes
O21 C21 1.10(3) . . yes
O22 C22 1.17(3) . . yes
O23 C23 1.15(2) . . yes
loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_site_symmetry_1
_geom_contact_site_symmetry_2
_geom_contact_publ_flag
IR1 IR2 2.761(1) . . ?
IR1 IR3 2.752(1) . . ?
IR1 IR4 2.757(1) . . ?
IR1 IR5 2.766(1) . . ?
IR1 IR7 2.939(1) . . ?
IR1 RU1 2.699(2) . . ?
IR2 IR3 2.735(1) . . ?
IR2 IR5 2.740(1) . . ?
IR2 IR6 2.738(1) . . ?
IR2 IR7 2.721(1) . . ?
IR2 RU2 2.730(2) . . ?
IR3 IR4 2.738(1) . . ?
IR3 IR6 2.736(1) . . ?
IR3 IR7 2.704(1) . . ?
IR3 RU3 2.742(2) . . ?
IR4 IR5 2.719(1) . . ?
IR4 IR6 2.736(1) . . ?
IR4 RU1 2.761(2) . . ?
IR4 RU3 2.742(2) . . ?
IR5 IR6 2.727(1) . . ?
IR5 RU1 2.758(2) . . ?
IR5 RU2 2.753(2) . . ?
IR6 RU2 2.767(2) . . ?
IR6 RU3 2.760(2) . . ?
