#------------------------------------------------------------------------------
#$Date: 2019-11-17 08:48:33 +0100 (Sun 17 de Nov de 2019) $
#$Revision: 229181 $
#$URL: svn://www.crystallography.net/cod/cif/7/04/69/7046912.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_7046912
loop_
_publ_author_name
'Sil, Amit'
'Roy Chowdhury, Sabyasachi'
'Mishra, Sabyashachi'
'Patra, Sanjib K.'
_publ_section_title
;
 Synthesis, structure, and photophysical and electrochemical properties of
 Ru(ii) complexes of arylene-vinylene terpyridyl conjugates.
;
_journal_issue                   29
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              9877
_journal_page_last               9888
_journal_paper_doi               10.1039/c8dt00881g
_journal_volume                  47
_journal_year                    2018
_chemical_formula_moiety         'C102 H76 Cl2 N6 P2 Ru2, 2(F6 P)'
_chemical_formula_sum            'C102 H76 Cl2 F12 N6 P4 Ru2'
_chemical_formula_weight         2010.60
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2018-03-06
_audit_creation_method
;
Olex2 1.2
(compiled 2017.03.28 svn.r3405 for OlexSys, GUI svn.r5337)
;
_audit_update_record
;
2018-03-07 deposited with the CCDC.
2018-06-29 downloaded from the CCDC.
;
_cell_angle_alpha                91.251(9)
_cell_angle_beta                 95.993(9)
_cell_angle_gamma                115.779(8)
_cell_formula_units_Z            1
_cell_length_a                   13.293(4)
_cell_length_b                   13.425(4)
_cell_length_c                   14.198(4)
_cell_measurement_reflns_used    1936
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      18.87
_cell_measurement_theta_min      2.26
_cell_volume                     2262.7(12)
_computing_cell_refinement       'SAINT v7.34A (Bruker, 200?)'
_computing_data_reduction        'SAINT v7.34A (Bruker, 200?)'
_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    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      100
_diffrn_measured_fraction_theta_full 0.978
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1432
_diffrn_reflns_av_unetI/netI     0.1694
_diffrn_reflns_Laue_measured_fraction_full 0.978
_diffrn_reflns_Laue_measured_fraction_max 0.978
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            26317
_diffrn_reflns_point_group_measured_fraction_full 0.978
_diffrn_reflns_point_group_measured_fraction_max 0.978
_diffrn_reflns_theta_full        25.090
_diffrn_reflns_theta_max         25.090
_diffrn_reflns_theta_min         1.446
_exptl_absorpt_coefficient_mu    0.541
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.519699
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2004/1 (Bruker,2004) was used for absorption correction.
R(int) was 0.0939 before and 0.0540 after correction.
The Ratio of minimum to maximum transmission is 0.5197.
The λ/2 correction factor is 0.0015.
;
_exptl_crystal_colour            'reddish brown'
_exptl_crystal_density_diffrn    1.476
_exptl_crystal_description       block
_exptl_crystal_F_000             1296
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: DCM and hexanes'
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.26
_refine_diff_density_max         2.271
_refine_diff_density_min         -0.664
_refine_diff_density_rms         0.151
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.968
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     577
_refine_ls_number_reflns         7861
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.968
_refine_ls_R_factor_all          0.2014
_refine_ls_R_factor_gt           0.0991
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1730P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2395
_refine_ls_wR_factor_ref         0.3068
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3607
_reflns_number_total             7861
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c8dt00881g2.cif
_cod_data_source_block           Complex_3prime
_cod_depositor_comments
'Adding full bibliography for 7046911--7046915.cif.'
_cod_original_cell_volume        2262.7(10)
_cod_database_code               7046912
_shelx_shelxl_version_number     2017/1
_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.
;
_olex2_refinement_description
;
1. Others
 Fixed Uiso: H9(0.062) H4(0.064) H21(0.079) H1(0.064) H2(0.075) H3(0.071)
 H47(0.082) H7(0.063) H18(0.072) H15(0.071) H39(0.073) H36(0.09) H51(0.078)
 H49(0.088) H17(0.072) H37(0.098) H35(0.089) H14(0.079) H38(0.095) H20(0.085)
 H41(0.087) H12(0.076) H50(0.085) H42(0.109) H13(0.083) H32(0.096) H27(0.095)
 H25(0.104) H43(0.108) H31(0.11) H48(0.095) H44(0.117) H26(0.108) H45(0.11)
 H23(0.104) H22(0.093) H30(0.117) H29(0.098)
 Fixed X: H9(0.291992) H4(0.486908) H21(0.288047) H1(0.659517) H2(0.66821)
 H3(0.579981) H47(0.919243) H7(0.385836) H18(0.11259) H15(0.55826)
 H39(0.754537) H36(0.579364) H51(0.79043) H49(1.101191) H17(0.217326)
 H37(0.637841) H35(0.609953) H14(0.482853) H38(0.714773) H20(0.187637)
 H41(0.773125) H12(0.324831) H50(0.95543) H42(0.847589) H13(0.365569)
 H32(0.006955) H27(-0.176042) H25(0.011575) H43(0.879038) H31(-0.079361)
 H48(1.086317) H44(0.846379) H26(-0.093718) H45(0.766637) H23(0.108057)
 H22(0.028727) H30(-0.1947) H29(-0.210932)
 Fixed Y: H9(0.625124) H4(1.105409) H21(0.561475) H1(1.217219) H2(1.347203)
 H3(1.29047) H47(1.029732) H7(0.917574) H18(0.717785) H15(0.796043)
 H39(1.047587) H36(0.665801) H51(1.159183) H49(1.340569) H17(0.816439)
 H37(0.792255) H35(0.728876) H14(0.605981) H38(0.978718) H20(0.463785)
 H41(0.762154) H12(0.550099) H50(1.321078) H42(0.668891) H13(0.480073)
 H32(0.216687) H27(0.217173) H25(0.499595) H43(0.716522) H31(0.024397)
 H48(1.191788) H44(0.860609) H26(0.407836) H45(0.950622) H23(0.396127)
 H22(0.551092) H30(-0.067161) H29(0.040809)
 Fixed Z: H9(0.259827) H4(0.406982) H21(0.405426) H1(0.137818) H2(0.248422)
 H3(0.38829) H47(0.308392) H7(0.410172) H18(0.585596) H15(-0.061881)
 H39(0.375806) H36(0.410392) H51(0.105877) H49(0.239805) H17(0.468178)
 H37(0.541133) H35(0.260664) H14(-0.100357) H38(0.523047) H20(0.524448)
 H41(0.218225) H12(0.132306) H50(0.123347) H42(0.125729) H13(-0.006681)
 H32(0.618079) H27(0.931837) H25(0.819835) H43(-0.028404) H31(0.615189)
 H48(0.327385) H44(-0.088489) H26(0.939412) H45(0.001406) H23(0.63872)
 H22(0.670409) H30(0.728968) H29(0.854271)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
Ru1 Ru 0.54748(7) 0.94936(8) 0.11174(6) 0.0503(4) Uani 1 1 d .
Cl1 Cl 0.3771(2) 0.9562(2) 0.02983(18) 0.0499(7) Uani 1 1 d .
P1 P 0.7090(2) 0.9468(2) 0.1837(2) 0.0499(8) Uani 1 1 d .
P2 P 0.3867(3) 0.3942(3) 0.2987(3) 0.0651(9) Uani 1 1 d .
F6 F 0.4629(6) 0.4087(6) 0.3967(6) 0.094(2) Uani 1 1 d .
F5 F 0.3106(6) 0.3800(6) 0.2000(5) 0.094(2) Uani 1 1 d .
N2 N 0.4605(7) 0.8734(7) 0.2129(6) 0.046(2) Uani 1 1 d .
F4 F 0.4129(8) 0.5212(7) 0.3117(6) 0.107(3) Uani 1 1 d .
N1 N 0.5706(7) 1.0848(8) 0.2028(6) 0.048(2) Uani 1 1 d .
N3 N 0.4889(7) 0.7861(8) 0.0581(6) 0.056(2) Uani 1 1 d .
F3 F 0.3613(9) 0.2714(7) 0.2876(7) 0.136(4) Uani 1 1 d .
F2 F 0.4958(7) 0.4316(8) 0.2500(6) 0.121(3) Uani 1 1 d .
C9 C 0.3356(9) 0.7033(9) 0.2688(7) 0.051(3) Uani 1 1 d .
H9 H 0.291992 0.625124 0.259827 0.062 Uiso 1 1 calc R
C10 C 0.4028(9) 0.7607(9) 0.2018(7) 0.050(3) Uani 1 1 d .
C5 C 0.5164(9) 1.0511(10) 0.2835(8) 0.051(3) Uani 1 1 d .
C6 C 0.4528(9) 0.9319(10) 0.2869(7) 0.049(3) Uani 1 1 d .
C4 C 0.5224(9) 1.1294(9) 0.3515(8) 0.053(3) Uani 1 1 d .
H4 H 0.486908 1.105409 0.406982 0.064 Uiso 1 1 calc R
C11 C 0.4188(9) 0.7090(10) 0.1144(7) 0.050(3) Uani 1 1 d .
F1 F 0.2789(7) 0.3629(9) 0.3544(7) 0.134(4) Uani 1 1 d .
C8 C 0.3329(9) 0.7622(9) 0.3501(8) 0.051(3) Uani 1 1 d .
C16 C 0.2645(10) 0.6991(9) 0.4246(8) 0.058(3) Uani 1 1 d .
C21 C 0.2532(10) 0.5942(9) 0.4425(8) 0.066(3) Uani 1 1 d .
H21 H 0.288047 0.561475 0.405426 0.079 Uiso 1 1 calc R
C1 C 0.6238(9) 1.1932(10) 0.1931(8) 0.054(3) Uani 1 1 d .
H1 H 0.659517 1.217219 0.137818 0.064 Uiso 1 1 calc R
C2 C 0.6292(10) 1.2706(10) 0.2582(9) 0.062(3) Uani 1 1 d .
H2 H 0.668210 1.347203 0.248422 0.075 Uiso 1 1 calc R
C46 C 0.8375(10) 1.0782(11) 0.2061(8) 0.062(3) Uani 1 1 d .
C34 C 0.6901(10) 0.8950(10) 0.3023(8) 0.057(3) Uani 1 1 d .
C3 C 0.5766(10) 1.2373(10) 0.3413(8) 0.060(3) Uani 1 1 d .
H3 H 0.579981 1.290470 0.388290 0.071 Uiso 1 1 calc R
C47 C 0.9261(11) 1.0895(11) 0.2708(9) 0.068(3) Uani 1 1 d .
H47 H 0.919243 1.029732 0.308392 0.082 Uiso 1 1 calc R
C7 C 0.3900(9) 0.8764(10) 0.3566(7) 0.052(3) Uani 1 1 d .
H7 H 0.385836 0.917574 0.410172 0.063 Uiso 1 1 calc R
C18 C 0.1487(9) 0.6856(10) 0.5494(8) 0.060(3) Uani 1 1 d .
H18 H 0.112590 0.717785 0.585596 0.072 Uiso 1 1 calc R
C15 C 0.5110(10) 0.7460(11) -0.0213(8) 0.060(3) Uani 1 1 d .
H15 H 0.558260 0.796043 -0.061881 0.071 Uiso 1 1 calc R
C39 C 0.7195(10) 0.9699(10) 0.3818(8) 0.061(3) Uani 1 1 d .
H39 H 0.754537 1.047587 0.375806 0.073 Uiso 1 1 calc R
C36 C 0.6154(11) 0.7431(12) 0.4027(10) 0.075(4) Uani 1 1 d .
H36 H 0.579364 0.665801 0.410392 0.090 Uiso 1 1 calc R
C51 C 0.8508(10) 1.1660(11) 0.1519(9) 0.065(3) Uani 1 1 d .
H51 H 0.790430 1.159183 0.105877 0.078 Uiso 1 1 calc R
C40 C 0.7638(9) 0.8667(10) 0.1198(7) 0.056(3) Uani 1 1 d .
C49 C 1.0345(11) 1.2727(12) 0.2298(10) 0.073(4) Uani 1 1 d .
H49 H 1.101191 1.340569 0.239805 0.088 Uiso 1 1 calc R
C17 C 0.2111(9) 0.7445(10) 0.4791(8) 0.060(3) Uani 1 1 d .
H17 H 0.217326 0.816439 0.468178 0.072 Uiso 1 1 calc R
C37 C 0.6485(12) 0.8179(13) 0.4794(11) 0.082(4) Uani 1 1 d .
H37 H 0.637841 0.792255 0.541133 0.098 Uiso 1 1 calc R
C35 C 0.6345(11) 0.7807(12) 0.3145(9) 0.074(4) Uani 1 1 d .
H35 H 0.609953 0.728876 0.260664 0.089 Uiso 1 1 calc R
C14 C 0.4652(11) 0.6319(11) -0.0445(8) 0.066(3) Uani 1 1 d .
H14 H 0.482853 0.605981 -0.100357 0.079 Uiso 1 1 calc R
C38 C 0.6965(12) 0.9285(13) 0.4688(9) 0.079(4) Uani 1 1 d .
H38 H 0.714773 0.978718 0.523047 0.095 Uiso 1 1 calc R
C20 C 0.1927(11) 0.5351(10) 0.5129(8) 0.071(4) Uani 1 1 d .
H20 H 0.187637 0.463785 0.524448 0.085 Uiso 1 1 calc R
C41 C 0.7873(11) 0.7822(11) 0.1555(9) 0.073(4) Uani 1 1 d .
H41 H 0.773125 0.762154 0.218225 0.087 Uiso 1 1 calc R
C19 C 0.1386(10) 0.5819(10) 0.5671(8) 0.065(3) Uani 1 1 d .
C12 C 0.3733(10) 0.5997(11) 0.0922(8) 0.063(3) Uani 1 1 d .
H12 H 0.324831 0.550099 0.132306 0.076 Uiso 1 1 calc R
C50 C 0.9478(11) 1.2621(11) 0.1622(9) 0.070(4) Uani 1 1 d .
H50 H 0.955430 1.321078 0.123347 0.085 Uiso 1 1 calc R
C42 C 0.8314(13) 0.7260(12) 0.1005(11) 0.091(4) Uani 1 1 d .
H42 H 0.847589 0.668891 0.125729 0.109 Uiso 1 1 calc R
C13 C 0.3967(11) 0.5576(11) 0.0098(9) 0.069(3) Uani 1 1 d .
H13 H 0.365569 0.480073 -0.006681 0.083 Uiso 1 1 calc R
C32 C -0.0383(11) 0.1816(14) 0.6661(10) 0.080(4) Uani 1 1 d .
H32 H 0.006955 0.216687 0.618079 0.096 Uiso 1 1 calc R
C28 C -0.1221(11) 0.1895(13) 0.8082(11) 0.076(4) Uani 1 1 d .
C27 C -0.1330(11) 0.2542(13) 0.8831(10) 0.079(4) Uani 1 1 d .
H27 H -0.176042 0.217173 0.931837 0.095 Uiso 1 1 calc R
C25 C -0.0213(12) 0.4209(13) 0.8175(10) 0.087(4) Uani 1 1 d .
H25 H 0.011575 0.499595 0.819835 0.104 Uiso 1 1 calc R
C43 C 0.8508(12) 0.7550(13) 0.0099(11) 0.090(5) Uani 1 1 d .
H43 H 0.879038 0.716522 -0.028404 0.108 Uiso 1 1 calc R
C31 C -0.0904(13) 0.0664(14) 0.6643(12) 0.091(5) Uani 1 1 d .
H31 H -0.079361 0.024397 0.615189 0.110 Uiso 1 1 calc R
C48 C 1.0251(11) 1.1857(13) 0.2828(10) 0.079(4) Uani 1 1 d .
H48 H 1.086317 1.191788 0.327385 0.095 Uiso 1 1 calc R
C44 C 0.8297(12) 0.8395(14) -0.0264(10) 0.097(5) Uani 1 1 d .
H44 H 0.846379 0.860609 -0.088489 0.117 Uiso 1 1 calc R
C26 C -0.0845(12) 0.3669(14) 0.8883(10) 0.090(4) Uani 1 1 d .
H26 H -0.093718 0.407836 0.939412 0.108 Uiso 1 1 calc R
C33 C -0.0520(12) 0.2481(13) 0.7396(10) 0.078(4) Uani 1 1 d .
C45 C 0.7839(11) 0.8946(13) 0.0277(10) 0.092(5) Uani 1 1 d .
H45 H 0.766637 0.950622 0.001406 0.110 Uiso 1 1 calc R
C24 C -0.0047(11) 0.3625(13) 0.7425(10) 0.080(4) Uani 1 1 d .
C23 C 0.0653(12) 0.4265(13) 0.6678(10) 0.087(4) Uani 1 1 d .
H23 H 0.108057 0.396127 0.638720 0.104 Uiso 1 1 calc R
C22 C 0.0708(11) 0.5203(12) 0.6409(9) 0.078(4) Uani 1 1 d .
H22 H 0.028727 0.551092 0.670409 0.093 Uiso 1 1 calc R
C30 C -0.1575(13) 0.0116(14) 0.7317(12) 0.097(5) Uani 1 1 d .
H30 H -0.194700 -0.067161 0.728968 0.117 Uiso 1 1 calc R
C29 C -0.1687(12) 0.0770(13) 0.8049(10) 0.082(4) Uani 1 1 d .
H29 H -0.210932 0.040809 0.854271 0.098 Uiso 1 1 calc R
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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
Cl1 Ru1 Cl1 79.86(9) 2_675 .
P1 Ru1 Cl1 177.98(10) . .
P1 Ru1 Cl1 98.13(10) . 2_675
N2 Ru1 Cl1 89.2(2) . .
N2 Ru1 Cl1 169.1(2) . 2_675
N2 Ru1 P1 92.8(3) . .
N2 Ru1 N1 79.1(3) . .
N2 Ru1 N3 80.5(3) . .
N1 Ru1 Cl1 88.5(2) . .
N1 Ru1 Cl1 100.8(2) . 2_675
N1 Ru1 P1 91.6(2) . .
N3 Ru1 Cl1 99.0(3) . 2_675
N3 Ru1 Cl1 90.1(2) . .
N3 Ru1 P1 90.4(2) . .
N3 Ru1 N1 159.5(3) . .
Ru1 Cl1 Ru1 100.15(9) 2_675 .
C46 P1 Ru1 118.6(4) . .
C34 P1 Ru1 111.1(4) . .
C34 P1 C46 103.1(6) . .
C40 P1 Ru1 116.2(4) . .
C40 P1 C46 99.0(5) . .
C40 P1 C34 107.3(5) . .
F6 P2 F5 179.8(6) . .
F6 P2 F1 89.8(5) . .
F5 P2 F1 90.4(5) . .
F4 P2 F6 89.1(4) . .
F4 P2 F5 90.8(4) . .
F4 P2 F1 89.4(5) . .
F3 P2 F6 90.2(5) . .
F3 P2 F5 89.8(5) . .
F3 P2 F4 179.2(5) . .
F3 P2 F2 92.8(6) . .
F3 P2 F1 90.1(6) . .
F2 P2 F6 87.4(5) . .
F2 P2 F5 92.3(5) . .
F2 P2 F4 87.6(5) . .
F2 P2 F1 176.0(6) . .
C10 N2 Ru1 117.8(7) . .
C6 N2 Ru1 120.2(7) . .
C6 N2 C10 121.8(9) . .
C5 N1 Ru1 111.9(7) . .
C1 N1 Ru1 130.4(7) . .
C1 N1 C5 117.6(9) . .
C11 N3 Ru1 113.7(7) . .
C15 N3 Ru1 129.3(8) . .
C15 N3 C11 117.1(10) . .
C10 C9 H9 120.6 . .
C10 C9 C8 118.8(10) . .
C8 C9 H9 120.6 . .
N2 C10 C9 120.2(9) . .
N2 C10 C11 114.8(9) . .
C9 C10 C11 125.0(10) . .
N1 C5 C6 115.3(9) . .
C4 C5 N1 120.0(10) . .
C4 C5 C6 124.7(10) . .
N2 C6 C5 113.4(9) . .
N2 C6 C7 119.1(10) . .
C7 C6 C5 127.5(10) . .
C5 C4 H4 119.2 . .
C3 C4 C5 121.6(10) . .
C3 C4 H4 119.2 . .
N3 C11 C10 113.1(10) . .
C12 C11 N3 122.6(10) . .
C12 C11 C10 124.2(10) . .
C9 C8 C16 118.6(10) . .
C7 C8 C9 118.6(10) . .
C7 C8 C16 122.7(10) . .
C21 C16 C8 121.0(10) . .
C21 C16 C17 117.8(10) . .
C17 C16 C8 121.2(10) . .
C16 C21 H21 118.9 . .
C16 C21 C20 122.1(11) . .
C20 C21 H21 118.9 . .
N1 C1 H1 118.5 . .
N1 C1 C2 123.1(11) . .
C2 C1 H1 118.5 . .
C1 C2 H2 120.2 . .
C1 C2 C3 119.7(11) . .
C3 C2 H2 120.2 . .
C47 C46 P1 121.6(9) . .
C47 C46 C51 117.8(12) . .
C51 C46 P1 120.3(10) . .
C39 C34 P1 119.7(9) . .
C39 C34 C35 118.5(11) . .
C35 C34 P1 121.4(9) . .
C4 C3 C2 118.0(11) . .
C4 C3 H3 121.0 . .
C2 C3 H3 121.0 . .
C46 C47 H47 119.3 . .
C46 C47 C48 121.4(13) . .
C48 C47 H47 119.3 . .
C6 C7 C8 121.2(10) . .
C6 C7 H7 119.4 . .
C8 C7 H7 119.4 . .
C17 C18 H18 119.5 . .
C19 C18 H18 119.5 . .
C19 C18 C17 121.0(11) . .
N3 C15 H15 119.6 . .
N3 C15 C14 120.8(11) . .
C14 C15 H15 119.6 . .
C34 C39 H39 120.8 . .
C38 C39 C34 118.5(12) . .
C38 C39 H39 120.8 . .
C37 C36 H36 120.4 . .
C37 C36 C35 119.2(13) . .
C35 C36 H36 120.4 . .
C46 C51 H51 119.0 . .
C50 C51 C46 122.0(12) . .
C50 C51 H51 119.0 . .
C41 C40 P1 125.6(9) . .
C45 C40 P1 115.5(9) . .
C45 C40 C41 118.8(11) . .
C50 C49 H49 119.9 . .
C48 C49 H49 119.9 . .
C48 C49 C50 120.3(13) . .
C16 C17 C18 120.8(11) . .
C16 C17 H17 119.6 . .
C18 C17 H17 119.6 . .
C36 C37 H37 119.6 . .
C38 C37 C36 120.8(13) . .
C38 C37 H37 119.6 . .
C34 C35 H35 119.5 . .
C36 C35 C34 121.0(13) . .
C36 C35 H35 119.5 . .
C15 C14 H14 119.0 . .
C13 C14 C15 122.0(12) . .
C13 C14 H14 119.0 . .
C39 C38 H38 119.1 . .
C37 C38 C39 121.8(13) . .
C37 C38 H38 119.1 . .
C21 C20 H20 120.3 . .
C21 C20 C19 119.5(11) . .
C19 C20 H20 120.3 . .
C40 C41 H41 119.4 . .
C40 C41 C42 121.3(12) . .
C42 C41 H41 119.4 . .
C18 C19 C20 118.8(10) . .
C18 C19 C22 120.1(12) . .
C20 C19 C22 121.0(12) . .
C11 C12 H12 119.8 . .
C11 C12 C13 120.5(11) . .
C13 C12 H12 119.8 . .
C51 C50 C49 119.1(13) . .
C51 C50 H50 120.5 . .
C49 C50 H50 120.5 . .
C41 C42 H42 120.5 . .
C43 C42 C41 118.9(14) . .
C43 C42 H42 120.5 . .
C14 C13 C12 117.0(12) . .
C14 C13 H13 121.5 . .
C12 C13 H13 121.5 . .
C31 C32 H32 119.6 . .
C31 C32 C33 120.9(13) . .
C33 C32 H32 119.6 . .
C27 C28 C33 116.8(13) . .
C29 C28 C27 122.3(13) . .
C29 C28 C33 120.7(15) . .
C28 C27 H27 118.6 . .
C26 C27 C28 122.8(13) . .
C26 C27 H27 118.6 . .
C26 C25 H25 119.1 . .
C26 C25 C24 121.8(15) . .
C24 C25 H25 119.1 . .
C42 C43 H43 119.6 . .
C42 C43 C44 120.7(13) . .
C44 C43 H43 119.6 . .
C32 C31 H31 119.1 . .
C30 C31 C32 121.8(16) . .
C30 C31 H31 119.1 . .
C47 C48 H48 120.3 . .
C49 C48 C47 119.4(13) . .
C49 C48 H48 120.3 . .
C43 C44 H44 119.8 . .
C43 C44 C45 120.5(14) . .
C45 C44 H44 119.8 . .
C27 C26 C25 118.6(15) . .
C27 C26 H26 120.7 . .
C25 C26 H26 120.7 . .
C28 C33 C32 116.2(14) . .
C24 C33 C32 122.8(13) . .
C24 C33 C28 120.9(14) . .
C40 C45 C44 119.7(13) . .
C40 C45 H45 120.2 . .
C44 C45 H45 120.2 . .
C25 C24 C23 119.1(14) . .
C33 C24 C25 119.0(13) . .
C33 C24 C23 122.0(14) . .
C24 C23 H23 117.9 . .
C22 C23 C24 124.1(14) . .
C22 C23 H23 117.9 . .
C19 C22 H22 118.1 . .
C23 C22 C19 123.9(13) . .
C23 C22 H22 118.1 . .
C31 C30 H30 121.4 . .
C31 C30 C29 117.2(15) . .
C29 C30 H30 121.4 . .
C28 C29 C30 123.1(15) . .
C28 C29 H29 118.5 . .
C30 C29 H29 118.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ru1 Cl1 2.475(3) .
Ru1 Cl1 2.466(3) 2_675
Ru1 P1 2.294(3) .
Ru1 N2 1.956(8) .
Ru1 N1 2.098(9) .
Ru1 N3 2.076(10) .
P1 C46 1.837(14) .
P1 C34 1.836(11) .
P1 C40 1.813(11) .
P2 F6 1.588(8) .
P2 F5 1.597(8) .
P2 F4 1.586(8) .
P2 F3 1.533(9) .
P2 F2 1.556(8) .
P2 F1 1.607(9) .
N2 C10 1.363(13) .
N2 C6 1.337(12) .
N1 C5 1.396(13) .
N1 C1 1.331(13) .
N3 C11 1.390(13) .
N3 C15 1.353(13) .
C9 H9 0.9500 .
C9 C10 1.382(14) .
C9 C8 1.397(14) .
C10 C11 1.487(14) .
C5 C6 1.453(15) .
C5 C4 1.383(14) .
C6 C7 1.377(14) .
C4 H4 0.9500 .
C4 C3 1.327(15) .
C11 C12 1.337(15) .
C8 C16 1.493(14) .
C8 C7 1.380(14) .
C16 C21 1.383(15) .
C16 C17 1.394(15) .
C21 H21 0.9500 .
C21 C20 1.386(15) .
C1 H1 0.9500 .
C1 C2 1.348(15) .
C2 H2 0.9500 .
C2 C3 1.415(16) .
C46 C47 1.366(16) .
C46 C51 1.378(15) .
C34 C39 1.397(15) .
C34 C35 1.408(16) .
C3 H3 0.9500 .
C47 H47 0.9500 .
C47 C48 1.376(16) .
C7 H7 0.9500 .
C18 H18 0.9500 .
C18 C17 1.397(15) .
C18 C19 1.371(15) .
C15 H15 0.9500 .
C15 C14 1.397(15) .
C39 H39 0.9500 .
C39 C38 1.375(16) .
C36 H36 0.9500 .
C36 C37 1.362(18) .
C36 C35 1.367(17) .
C51 H51 0.9500 .
C51 C50 1.362(16) .
C40 C41 1.392(15) .
C40 C45 1.389(17) .
C49 H49 0.9500 .
C49 C50 1.375(17) .
C49 C48 1.369(17) .
C17 H17 0.9500 .
C37 H37 0.9500 .
C37 C38 1.356(18) .
C35 H35 0.9500 .
C14 H14 0.9500 .
C14 C13 1.344(16) .
C38 H38 0.9500 .
C20 H20 0.9500 .
C20 C19 1.411(16) .
C41 H41 0.9500 .
C41 C42 1.407(17) .
C19 C22 1.476(16) .
C12 H12 0.9500 .
C12 C13 1.410(16) .
C50 H50 0.9500 .
C42 H42 0.9500 .
C42 C43 1.37(2) .
C13 H13 0.9500 .
C32 H32 0.9500 .
C32 C31 1.391(18) .
C32 C33 1.436(19) .
C28 C27 1.418(19) .
C28 C33 1.421(18) .
C28 C29 1.358(18) .
C27 H27 0.9500 .
C27 C26 1.360(18) .
C25 H25 0.9500 .
C25 C26 1.386(18) .
C25 C24 1.399(19) .
C43 H43 0.9500 .
C43 C44 1.379(19) .
C31 H31 0.9500 .
C31 C30 1.37(2) .
C48 H48 0.9500 .
C44 H44 0.9500 .
C44 C45 1.405(17) .
C26 H26 0.9500 .
C33 C24 1.381(18) .
C45 H45 0.9500 .
C24 C23 1.510(18) .
C23 H23 0.9500 .
C23 C22 1.298(17) .
C22 H22 0.9500 .
C30 H30 0.9500 .
C30 C29 1.407(19) .
C29 H29 0.9500 .
