#------------------------------------------------------------------------------
#$Date: 2019-11-05 04:40:27 +0100 (mar 05 de nov de 2019) $
#$Revision: 223274 $
#$URL: svn://www.crystallography.net/cod/cif/7/70/14/7701473.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_7701473
loop_
_publ_author_name
'Maji, Milan'
'Kundu, Sabuj'
_publ_section_title
;
 Cooperative Ruthenium Complex Catalyzed Multicomponent Synthesis of
 Pyrimidines
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/C9DT04040D
_journal_year                    2019
_chemical_formula_moiety         'C49 H40 N3 O P2 Ru, Cl, 2(C3 H3)'
_chemical_formula_sum            'C55 H46 Cl N3 O P2 Ru'
_chemical_formula_weight         963.41
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     iterative
_audit_creation_date             2019-10-15
_audit_creation_method
;
Olex2 1.2
(compiled 2017.08.10 svn.r3458 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2019-10-15 deposited with the CCDC.	2019-11-04 downloaded from the CCDC.
;
_cell_angle_alpha                90.000(5)
_cell_angle_beta                 91.923(5)
_cell_angle_gamma                90.000(5)
_cell_formula_units_Z            4
_cell_length_a                   9.693(5)
_cell_length_b                   24.331(5)
_cell_length_c                   19.244(5)
_cell_measurement_reflns_used    8965
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.52
_cell_measurement_theta_min      2.53
_cell_volume                     4536(3)
_computing_cell_refinement       'SAINT V8.38A (?, 2016)'
_computing_data_reduction        'SAINT V8.38A (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve (Bourhis et al., 2015)'
_diffrn_ambient_temperature      100.0
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1061
_diffrn_reflns_av_unetI/netI     0.0735
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            71173
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.300
_diffrn_reflns_theta_min         2.263
_exptl_absorpt_coefficient_mu    0.519
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.7059
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0883 before and 0.0688 after correction.
The Ratio of minimum to maximum transmission is 0.9466.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            'clear yellowish'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   yellowish
_exptl_crystal_density_diffrn    1.411
_exptl_crystal_description       block
_exptl_crystal_F_000             1984
_exptl_crystal_size_max          0.01
_exptl_crystal_size_mid          0.01
_exptl_crystal_size_min          0.01
_refine_diff_density_max         2.414
_refine_diff_density_min         -1.237
_refine_diff_density_rms         0.117
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.082
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     572
_refine_ls_number_reflns         11255
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.082
_refine_ls_R_factor_all          0.0977
_refine_ls_R_factor_gt           0.0502
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0495P)²+8.2511P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1122
_refine_ls_wR_factor_ref         0.1406
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7588
_reflns_number_total             11255
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c9dt04040d2.cif
_cod_data_source_block           complex_e
_cod_database_code               7701473
_shelx_shelxl_version_number     2018/3
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_max   0.995
_shelx_estimated_absorpt_t_min   0.995
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C006(H006), N008(H008), C010(H010), C011(H011), C012(H012), C014(H014),
 C015(H015), C016(H016), C020(H020), C021(H021), C022(H022), C025(H025),
 C027(H027), C028(H028), C029(H029), C030(H030), C032(H032), C034(H034),
 C035(H035), C037(H037), C040(H040), C042(H042), C044(H044), C045(H045),
 C046(H046), C047(H047), C049(H049), C050(H050), C051(H051), C052(H052),
 C053(H053), C054(H054), C055(H055), C056(H056), C057(H057), C058(H058),
 C059(H059), C060(H060), C0AA(H0AA), C1(H1), C4(H4), C5(H5), C2(H2), C1AA(H1AA),
  C2AA(H2AA)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
Ru01 Ru 0.18143(3) 0.21159(2) 0.72323(2) 0.01579(9) Uani 1 1 d .
P02 P 0.19607(10) 0.30457(4) 0.69026(5) 0.0164(2) Uani 1 1 d .
P03 P 0.20309(10) 0.11848(4) 0.75636(5) 0.0172(2) Uani 1 1 d .
O005 O 0.3667(3) 0.24369(12) 0.84349(14) 0.0266(6) Uani 1 1 d .
C006 C 0.1399(5) -0.01684(18) 0.6296(2) 0.0303(10) Uani 1 1 d .
H006 H 0.191924 -0.046841 0.612792 0.036 Uiso 1 1 calc R
N007 N -0.0388(3) 0.21853(13) 0.75260(17) 0.0207(7) Uani 1 1 d .
N008 N -0.1353(3) 0.18225(13) 0.57308(17) 0.0236(7) Uani 1 1 d .
H008 H -0.225007 0.181212 0.564599 0.028 Uiso 1 1 calc R
N009 N 0.0664(3) 0.19100(13) 0.63178(15) 0.0171(6) Uani 1 1 d .
C010 C -0.0070(5) 0.0390(2) 0.9099(2) 0.0370(11) Uani 1 1 d .
H010 H -0.049048 0.004222 0.916618 0.044 Uiso 1 1 calc R
C011 C 0.0086(5) 0.32303(18) 0.4686(2) 0.0350(11) Uani 1 1 d .
H011 H -0.030770 0.323991 0.422745 0.042 Uiso 1 1 calc R
C012 C -0.0131(4) 0.43881(17) 0.7630(2) 0.0274(9) Uani 1 1 d .
H012 H -0.052989 0.471528 0.744394 0.033 Uiso 1 1 calc R
C013 C 0.1292(4) 0.06574(15) 0.69821(19) 0.0194(8) Uani 1 1 d .
C014 C -0.0171(4) 0.31167(16) 0.5914(2) 0.0231(8) Uani 1 1 d .
H014 H -0.074871 0.306103 0.629678 0.028 Uiso 1 1 calc R
C015 C -0.3220(5) 0.22877(19) 0.7710(3) 0.0351(11) Uani 1 1 d .
H015 H -0.418205 0.232587 0.777671 0.042 Uiso 1 1 calc R
C016 C 0.1039(4) 0.34336(16) 0.81690(19) 0.0204(8) Uani 1 1 d .
H016 H 0.144197 0.310820 0.835809 0.025 Uiso 1 1 calc R
C017 C 0.3840(4) 0.09825(16) 0.76832(19) 0.0202(8) Uani 1 1 d .
C018 C 0.1224(4) 0.10059(16) 0.83872(19) 0.0214(8) Uani 1 1 d .
C019 C 0.1062(4) 0.35289(15) 0.74533(18) 0.0174(7) Uani 1 1 d .
C020 C -0.0746(5) 0.31313(18) 0.5246(2) 0.0306(10) Uani 1 1 d .
H020 H -0.170840 0.307366 0.517068 0.037 Uiso 1 1 calc R
C021 C -0.2738(4) 0.21376(17) 0.7062(2) 0.0285(9) Uani 1 1 d .
H021 H -0.335729 0.207036 0.667874 0.034 Uiso 1 1 calc R
C022 C 0.4391(4) 0.08167(16) 0.8322(2) 0.0233(8) Uani 1 1 d .
H022 H 0.380882 0.078340 0.870708 0.028 Uiso 1 1 calc R
C024 C 0.1250(4) 0.31830(15) 0.60310(19) 0.0190(8) Uani 1 1 d .
C025 C -0.0407(5) 0.16058(17) 0.4555(2) 0.0290(9) Uani 1 1 d .
H025 H -0.126551 0.156877 0.430678 0.035 Uiso 1 1 calc R
C026 C 0.3700(4) 0.33360(16) 0.68937(19) 0.0198(8) Uani 1 1 d .
C027 C 0.6637(4) 0.07368(17) 0.7843(2) 0.0284(9) Uani 1 1 d .
H027 H 0.759297 0.065595 0.789651 0.034 Uiso 1 1 calc R
C028 C 0.4707(4) 0.10253(16) 0.7122(2) 0.0230(8) Uani 1 1 d .
H028 H 0.434264 0.114614 0.668410 0.028 Uiso 1 1 calc R
C029 C -0.0159(4) 0.42846(17) 0.8338(2) 0.0241(8) Uani 1 1 d .
H029 H -0.058442 0.453962 0.863721 0.029 Uiso 1 1 calc R
C030 C 0.2177(4) 0.17185(16) 0.53029(19) 0.0225(8) Uani 1 1 d .
H030 H 0.303747 0.175789 0.554868 0.027 Uiso 1 1 calc R
C031 C -0.1326(4) 0.20902(16) 0.6998(2) 0.0213(8) Uani 1 1 d .
C032 C 0.0430(4) 0.38110(16) 0.8607(2) 0.0228(8) Uani 1 1 d .
H032 H 0.041931 0.374233 0.909300 0.027 Uiso 1 1 calc R
C033 C -0.0704(4) 0.19385(15) 0.6346(2) 0.0199(8) Uani 1 1 d .
C034 C 0.6090(4) 0.08938(16) 0.7197(2) 0.0252(9) Uani 1 1 d .
H034 H 0.666536 0.091079 0.680795 0.030 Uiso 1 1 calc R
C035 C 0.4063(4) 0.38156(17) 0.7245(2) 0.0252(9) Uani 1 1 d .
H035 H 0.339903 0.399960 0.751286 0.030 Uiso 1 1 calc R
C036 C 0.0931(4) 0.17784(15) 0.56331(19) 0.0199(8) Uani 1 1 d .
C037 C -0.0746(4) 0.03056(17) 0.6381(2) 0.0294(9) Uani 1 1 d .
H037 H -0.170458 0.033464 0.626622 0.035 Uiso 1 1 calc R
C038 C -0.0335(4) 0.17233(16) 0.5260(2) 0.0219(8) Uani 1 1 d .
C040 C 0.2070(4) 0.32853(16) 0.54654(19) 0.0239(8) Uani 1 1 d .
H040 H 0.303639 0.333541 0.553623 0.029 Uiso 1 1 calc R
C042 C 0.0483(4) 0.40119(16) 0.71938(19) 0.0222(8) Uani 1 1 d .
H042 H 0.050771 0.408654 0.670984 0.027 Uiso 1 1 calc R
C043 C 0.2910(4) 0.23067(16) 0.7988(2) 0.0207(8) Uani 1 1 d .
C044 C 0.4699(4) 0.30734(18) 0.6500(2) 0.0247(9) Uani 1 1 d .
H044 H 0.448254 0.273781 0.626862 0.030 Uiso 1 1 calc R
C045 C 0.5395(4) 0.40301(18) 0.7209(2) 0.0313(10) Uani 1 1 d .
H045 H 0.564055 0.435186 0.746447 0.038 Uiso 1 1 calc R
C046 C 0.6355(4) 0.37760(19) 0.6805(2) 0.0327(10) Uani 1 1 d .
H046 H 0.725466 0.392628 0.677201 0.039 Uiso 1 1 calc R
C047 C 0.0837(5) 0.15451(17) 0.4231(2) 0.0291(10) Uani 1 1 d .
H047 H 0.083164 0.146539 0.374770 0.035 Uiso 1 1 calc R
C049 C 0.2103(5) 0.15982(17) 0.4597(2) 0.0278(9) Uani 1 1 d .
H049 H 0.293441 0.155073 0.435567 0.033 Uiso 1 1 calc R
C050 C 0.5802(4) 0.06976(17) 0.8405(2) 0.0289(9) Uani 1 1 d .
H050 H 0.617947 0.059046 0.884641 0.035 Uiso 1 1 calc R
C051 C 0.0619(4) 0.04935(18) 0.8488(2) 0.0302(10) Uani 1 1 d .
H051 H 0.067557 0.021629 0.814280 0.036 Uiso 1 1 calc R
C052 C -0.0888(4) 0.23285(16) 0.8141(2) 0.0241(8) Uani 1 1 d .
H052 H -0.025494 0.239801 0.851851 0.029 Uiso 1 1 calc R
C053 C -0.2286(5) 0.23795(17) 0.8250(2) 0.0311(10) Uani 1 1 d .
H053 H -0.259868 0.247753 0.869555 0.037 Uiso 1 1 calc R
C054 C 0.2040(4) 0.02247(16) 0.6722(2) 0.0245(9) Uani 1 1 d .
H054 H 0.299909 0.019513 0.683452 0.029 Uiso 1 1 calc R
C055 C 0.1481(5) 0.33145(18) 0.4796(2) 0.0306(10) Uani 1 1 d .
H055 H 0.204442 0.339280 0.441358 0.037 Uiso 1 1 calc R
C056 C 0.5999(4) 0.33026(18) 0.6448(2) 0.0298(9) Uani 1 1 d .
H056 H 0.665473 0.313124 0.616310 0.036 Uiso 1 1 calc R
C057 C -0.0112(4) 0.06910(16) 0.6809(2) 0.0233(8) Uani 1 1 d .
H057 H -0.064105 0.098375 0.698929 0.028 Uiso 1 1 calc R
C058 C 0.1161(4) 0.13964(18) 0.8914(2) 0.0256(9) Uani 1 1 d .
H058 H 0.159351 0.174314 0.885703 0.031 Uiso 1 1 calc R
C059 C 0.0476(5) 0.1288(2) 0.9523(2) 0.0328(10) Uani 1 1 d .
H059 H 0.044129 0.155816 0.987772 0.039 Uiso 1 1 calc R
C060 C -0.0149(5) 0.0786(2) 0.9607(2) 0.0381(11) Uani 1 1 d .
H060 H -0.063661 0.071319 1.001669 0.046 Uiso 1 1 calc R
C0AA C 0.0020(5) -0.01259(18) 0.6116(2) 0.0316(10) Uani 1 1 d .
H0AA H -0.040766 -0.038851 0.581345 0.038 Uiso 1 1 calc R
Cl1 Cl -0.41959(12) 0.21398(6) 0.51469(7) 0.0464(3) Uani 1 1 d .
C1 C -0.0097(6) 0.4458(2) 1.0198(2) 0.0443(13) Uani 1 1 d .
H1 H -0.015441 0.408419 1.033712 0.053 Uiso 1 1 calc R
C4 C 0.1169(6) 0.4693(2) 1.0099(2) 0.0484(14) Uani 1 1 d .
H4 H 0.198516 0.448054 1.016586 0.058 Uiso 1 1 calc R
C5 C -0.1262(6) 0.4757(2) 1.0099(2) 0.0465(14) Uani 1 1 d .
H5 H -0.213845 0.459402 1.016360 0.056 Uiso 1 1 calc R
C2 C -0.0326(7) 0.4547(2) 0.5370(2) 0.0501(15) Uani 1 1 d .
H2 H -0.055371 0.422762 0.562649 0.060 Uiso 1 1 calc R
C1AA C -0.1338(6) 0.4804(2) 0.4968(2) 0.0435(12) Uani 1 1 d .
H1AA H -0.225568 0.466570 0.495219 0.052 Uiso 1 1 calc R
C2AA C 0.1009(6) 0.4743(2) 0.5407(3) 0.0489(14) Uani 1 1 d .
H2AA H 0.169223 0.456389 0.569097 0.059 Uiso 1 1 calc R
H H 0.323(4) 0.2017(18) 0.689(2) 0.034(12) Uiso 1 1 d .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
P02 Ru01 P03 171.45(4) . .
N007 Ru01 P02 93.57(8) . .
N007 Ru01 P03 94.67(8) . .
N009 Ru01 P02 92.19(9) . .
N009 Ru01 P03 92.12(9) . .
N009 Ru01 N007 75.31(12) . .
C043 Ru01 P02 86.08(12) . .
C043 Ru01 P03 89.14(12) . .
C043 Ru01 N007 108.29(14) . .
C043 Ru01 N009 176.08(14) . .
C019 P02 Ru01 115.37(12) . .
C019 P02 C026 102.40(17) . .
C024 P02 Ru01 113.55(13) . .
C024 P02 C019 104.09(17) . .
C024 P02 C026 103.94(17) . .
C026 P02 Ru01 115.95(13) . .
C013 P03 Ru01 118.53(13) . .
C013 P03 C018 101.02(18) . .
C017 P03 Ru01 111.63(13) . .
C017 P03 C013 104.01(17) . .
C017 P03 C018 105.15(17) . .
C018 P03 Ru01 114.98(13) . .
C0AA C006 C054 120.5(4) . .
C031 N007 Ru01 114.7(2) . .
C052 N007 Ru01 128.3(3) . .
C052 N007 C031 116.9(3) . .
C033 N008 C038 106.8(3) . .
C033 N009 Ru01 116.9(2) . .
C033 N009 C036 105.6(3) . .
C036 N009 Ru01 137.3(3) . .
C060 C010 C051 120.8(4) . .
C055 C011 C020 120.0(4) . .
C029 C012 C042 119.8(4) . .
C054 C013 P03 123.7(3) . .
C054 C013 C057 118.6(4) . .
C057 C013 P03 117.6(3) . .
C020 C014 C024 120.7(4) . .
C053 C015 C021 119.1(4) . .
C032 C016 C019 120.6(4) . .
C022 C017 P03 122.0(3) . .
C022 C017 C028 119.0(4) . .
C028 C017 P03 118.9(3) . .
C051 C018 P03 121.6(3) . .
C058 C018 P03 119.7(3) . .
C058 C018 C051 118.7(4) . .
C016 C019 P02 119.3(3) . .
C042 C019 P02 122.1(3) . .
C042 C019 C016 118.4(3) . .
C014 C020 C011 120.0(4) . .
C031 C021 C015 117.6(4) . .
C017 C022 C050 120.5(4) . .
C014 C024 P02 117.9(3) . .
C040 C024 P02 123.0(3) . .
C040 C024 C014 118.7(4) . .
C047 C025 C038 116.6(4) . .
C035 C026 P02 122.6(3) . .
C035 C026 C044 118.5(4) . .
C044 C026 P02 118.8(3) . .
C050 C027 C034 120.4(4) . .
C034 C028 C017 120.7(4) . .
C032 C029 C012 120.0(4) . .
C049 C030 C036 116.9(4) . .
N007 C031 C021 123.9(4) . .
N007 C031 C033 113.6(3) . .
C021 C031 C033 122.4(4) . .
C029 C032 C016 120.1(4) . .
N008 C033 C031 127.9(3) . .
N009 C033 N008 112.8(3) . .
N009 C033 C031 119.3(3) . .
C028 C034 C027 119.8(4) . .
C026 C035 C045 120.7(4) . .
N009 C036 C030 130.5(4) . .
N009 C036 C038 108.6(3) . .
C030 C036 C038 120.8(4) . .
C057 C037 C0AA 119.9(4) . .
N008 C038 C025 131.6(4) . .
N008 C038 C036 106.1(3) . .
C025 C038 C036 122.2(4) . .
C024 C040 C055 120.4(4) . .
C019 C042 C012 121.1(4) . .
O005 C043 Ru01 175.5(3) . .
C056 C044 C026 120.1(4) . .
C046 C045 C035 120.2(4) . .
C056 C046 C045 119.6(4) . .
C025 C047 C049 121.8(4) . .
C030 C049 C047 121.7(4) . .
C027 C050 C022 119.5(4) . .
C018 C051 C010 119.6(4) . .
N007 C052 C053 122.8(4) . .
C015 C053 C052 119.7(4) . .
C013 C054 C006 120.5(4) . .
C011 C055 C040 120.2(4) . .
C046 C056 C044 120.9(4) . .
C037 C057 C013 121.0(4) . .
C059 C058 C018 121.1(4) . .
C060 C059 C058 119.5(4) . .
C059 C060 C010 120.2(4) . .
C006 C0AA C037 119.4(4) . .
C5 C1 C4 120.1(5) . .
C1 C4 C5 120.2(5) . 3_567
C1 C5 C4 119.6(5) . 3_567
C1AA C2 C2AA 121.4(5) . .
C2AA C1AA C2 119.3(5) 3_566 .
C1AA C2AA C2 119.3(5) 3_566 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ru01 P02 2.3552(11) .
Ru01 P03 2.3609(11) .
Ru01 N007 2.233(3) .
Ru01 N009 2.112(3) .
Ru01 C043 1.831(4) .
P02 C019 1.824(4) .
P02 C024 1.823(4) .
P02 C026 1.828(4) .
P03 C013 1.833(4) .
P03 C017 1.828(4) .
P03 C018 1.843(4) .
O005 C043 1.157(5) .
C006 C054 1.393(6) .
C006 C0AA 1.373(6) .
N007 C031 1.359(5) .
N007 C052 1.340(5) .
N008 C033 1.352(5) .
N008 C038 1.383(5) .
N009 C033 1.331(5) .
N009 C036 1.389(5) .
C010 C051 1.395(6) .
C010 C060 1.376(7) .
C011 C020 1.388(6) .
C011 C055 1.377(6) .
C012 C029 1.386(5) .
C012 C042 1.390(5) .
C013 C054 1.382(5) .
C013 C057 1.392(5) .
C014 C020 1.384(5) .
C014 C024 1.397(5) .
C015 C021 1.394(6) .
C015 C053 1.373(7) .
C016 C019 1.398(5) .
C016 C032 1.392(5) .
C017 C022 1.384(5) .
C017 C028 1.394(5) .
C018 C051 1.394(6) .
C018 C058 1.392(6) .
C019 C042 1.388(5) .
C021 C031 1.384(5) .
C022 C050 1.402(6) .
C024 C040 1.392(5) .
C025 C038 1.386(5) .
C025 C047 1.383(6) .
C026 C035 1.388(5) .
C026 C044 1.403(5) .
C027 C034 1.387(6) .
C027 C050 1.376(6) .
C028 C034 1.381(5) .
C029 C032 1.379(6) .
C030 C036 1.391(5) .
C030 C049 1.390(5) .
C031 C033 1.457(5) .
C035 C045 1.396(6) .
C036 C038 1.407(5) .
C037 C057 1.380(6) .
C037 C0AA 1.392(6) .
C040 C055 1.393(5) .
C044 C056 1.385(6) .
C045 C046 1.379(6) .
C046 C056 1.379(6) .
C047 C049 1.400(6) .
C052 C053 1.384(6) .
C058 C059 1.391(5) .
C059 C060 1.374(7) .
C1 C4 1.373(7) .
C1 C5 1.352(8) .
C4 C5 1.394(8) 3_567
C2 C1AA 1.378(7) .
C2 C2AA 1.380(8) .
C1AA C2AA 1.362(7) 3_566
