#------------------------------------------------------------------------------
#$Date: 2016-03-25 10:18:57 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179747 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/43/7004366.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_7004366
loop_
_publ_author_name
'Dixon, Isabelle M.'
'Lebon, Emilie'
'Loustau, Gilles'
'Sutra, Pierre'
'Vendier, Laure'
'Igau, Alain'
'Juris, Alberto'
_publ_section_title
;
 Broad HOMO--LUMO gap tuning through the coordination of a single
 phosphine, aminophosphine or phosphite onto a Ru(tpy)(bpy)2+ core
;
_journal_issue                   41
_journal_name_full               'Dalton Transactions'
_journal_page_first              5627
_journal_page_last               5635
_journal_paper_doi               10.1039/b806325g
_journal_year                    2008
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'C34 H40 N5 P Ru, 2(F6 P)'
_chemical_formula_sum            'C34 H40 F12 N5 P3 Ru'
_chemical_formula_weight         940.69
_chemical_name_systematic
;
?
;
_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'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                103.205(6)
_cell_angle_beta                 97.589(5)
_cell_angle_gamma                102.186(5)
_cell_formula_units_Z            4
_cell_length_a                   14.9512(9)
_cell_length_b                   15.1059(10)
_cell_length_c                   20.1824(14)
_cell_measurement_reflns_used    6527
_cell_measurement_temperature    150
_cell_measurement_theta_max      32.1391
_cell_measurement_theta_min      2.7436
_cell_measurement_wavelength     0.71073
_cell_volume                     4259.2(5)
_computing_cell_refinement       'CrysAlis RED, Oxford Diffraction Ltd.'
_computing_data_collection       'CrysAlis CCD, Oxford Diffraction Ltd.'
_computing_data_reduction        'CrysAlis RED, Oxford Diffraction Ltd.'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR92 (Giacovazzo et al, 1993)'
_diffrn_ambient_temperature      150
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Oxford-Diffraction XCALIBUR'
_diffrn_measurement_method       ω-φ
_diffrn_orient_matrix_UB_11      0.0014591661
_diffrn_orient_matrix_UB_12      -0.0477693061
_diffrn_orient_matrix_UB_13      -0.0099488202
_diffrn_orient_matrix_UB_21      0.0440451431
_diffrn_orient_matrix_UB_22      0.0111671263
_diffrn_orient_matrix_UB_23      0.0221694276
_diffrn_orient_matrix_UB_31      -0.0223875558
_diffrn_orient_matrix_UB_32      -0.0086393996
_diffrn_orient_matrix_UB_33      0.0275895937
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0765
_diffrn_reflns_av_unetI/netI     0.1262
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            30391
_diffrn_reflns_theta_full        25.35
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_min         2.87
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.564
_exptl_absorpt_correction_T_max  0.9448
_exptl_absorpt_correction_T_min  0.8523
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
[c.f. r.h. blessing, acta cryst. (1995), a51, 33-38]
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.467
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       parallelepiped
_exptl_crystal_F_000             1904
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_refine_diff_density_max         1.726
_refine_diff_density_min         -1.275
_refine_diff_density_rms         0.153
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.017
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     933
_refine_ls_number_reflns         15520
_refine_ls_number_restraints     21
_refine_ls_restrained_S_all      1.017
_refine_ls_R_factor_all          0.1208
_refine_ls_R_factor_gt           0.0842
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1430P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2326
_refine_ls_wR_factor_ref         0.2527
_reflns_number_gt                9055
_reflns_number_total             15520
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            b806325g.txt
_cod_data_source_block           ([Ru]7)
_cod_original_cell_volume        4259.1(5)
_cod_database_code               7004366
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.8461(5) 0.6529(5) 0.9241(4) 0.0301(17) Uani 1 1 d . . .
H1 H 0.8283 0.6226 0.9602 0.036 Uiso 1 1 calc R . .
C2 C 0.8828(6) 0.7574(6) 0.9609(5) 0.047(2) Uani 1 1 d . . .
H2A H 0.9346 0.7662 0.9974 0.071 Uiso 1 1 calc R . .
H2B H 0.8342 0.7807 0.9801 0.071 Uiso 1 1 calc R . .
H2C H 0.9026 0.7911 0.9282 0.071 Uiso 1 1 calc R . .
C3 C 0.9245(5) 0.6121(6) 0.8991(4) 0.0370(19) Uani 1 1 d . . .
H3A H 0.9422 0.636 0.8613 0.055 Uiso 1 1 calc R . .
H3B H 0.9035 0.5449 0.8839 0.055 Uiso 1 1 calc R . .
H3C H 0.9772 0.6298 0.9364 0.055 Uiso 1 1 calc R . .
C4 C 0.6459(6) 0.6355(6) 0.9058(4) 0.038(2) Uani 1 1 d . . .
H4 H 0.5872 0.6078 0.8722 0.045 Uiso 1 1 calc R . .
C5 C 0.6419(6) 0.5789(7) 0.9593(4) 0.045(2) Uani 1 1 d . . .
H5A H 0.6908 0.6105 0.9987 0.067 Uiso 1 1 calc R . .
H5B H 0.6497 0.5176 0.9393 0.067 Uiso 1 1 calc R . .
H5C H 0.5827 0.5731 0.9736 0.067 Uiso 1 1 calc R . .
C6 C 0.6425(7) 0.7379(6) 0.9397(5) 0.056(3) Uani 1 1 d . . .
H6A H 0.5824 0.7378 0.9516 0.084 Uiso 1 1 calc R . .
H6B H 0.6533 0.7754 0.9076 0.084 Uiso 1 1 calc R . .
H6C H 0.6898 0.7638 0.9808 0.084 Uiso 1 1 calc R . .
C7 C 0.7531(6) 0.7220(6) 0.8189(4) 0.0375(19) Uani 1 1 d . . .
H7 H 0.7655 0.7762 0.8593 0.045 Uiso 1 1 calc R . .
C8 C 0.8391(7) 0.7403(6) 0.7844(5) 0.050(2) Uani 1 1 d . . .
H8A H 0.8262 0.6981 0.7389 0.075 Uiso 1 1 calc R . .
H8B H 0.8916 0.7304 0.812 0.075 Uiso 1 1 calc R . .
H8C H 0.8528 0.8039 0.7809 0.075 Uiso 1 1 calc R . .
C9 C 0.6661(7) 0.7289(6) 0.7729(5) 0.049(2) Uani 1 1 d . . .
H9A H 0.6704 0.7934 0.7733 0.074 Uiso 1 1 calc R . .
H9B H 0.6117 0.705 0.7902 0.074 Uiso 1 1 calc R . .
H9C H 0.6616 0.6926 0.7263 0.074 Uiso 1 1 calc R . .
C10 C 0.7909(5) 0.4179(5) 0.9103(4) 0.0309(17) Uani 1 1 d . . .
H10 H 0.7823 0.4745 0.9352 0.037 Uiso 1 1 calc R . .
C11 C 0.8394(6) 0.3683(5) 0.9458(4) 0.0355(19) Uani 1 1 d . . .
H11 H 0.8623 0.3917 0.9932 0.043 Uiso 1 1 calc R . .
C12 C 0.8531(7) 0.2863(6) 0.9111(5) 0.048(2) Uani 1 1 d . . .
H12 H 0.8886 0.2545 0.9338 0.057 Uiso 1 1 calc R . .
C13 C 0.8135(6) 0.2494(6) 0.8407(5) 0.042(2) Uani 1 1 d . . .
H13 H 0.819 0.1912 0.8164 0.05 Uiso 1 1 calc R . .
C14 C 0.7648(6) 0.3026(5) 0.8073(4) 0.0348(19) Uani 1 1 d . . .
C15 C 0.7176(5) 0.2677(5) 0.7348(4) 0.0335(18) Uani 1 1 d . . .
C16 C 0.7142(6) 0.1787(6) 0.6923(4) 0.041(2) Uani 1 1 d . . .
H16 H 0.7482 0.1402 0.7081 0.049 Uiso 1 1 calc R . .
C17 C 0.6604(7) 0.1497(6) 0.6277(5) 0.050(2) Uani 1 1 d . . .
H17 H 0.657 0.0908 0.5992 0.06 Uiso 1 1 calc R . .
C18 C 0.6123(6) 0.2062(6) 0.6051(4) 0.037(2) Uani 1 1 d . . .
H18 H 0.5733 0.1854 0.5618 0.045 Uiso 1 1 calc R . .
C19 C 0.6209(6) 0.2950(6) 0.6463(4) 0.0360(19) Uani 1 1 d . . .
H19 H 0.5905 0.3351 0.629 0.043 Uiso 1 1 calc R . .
C20 C 0.8981(5) 0.4682(5) 0.7423(4) 0.0286(17) Uani 1 1 d . . .
H20 H 0.9095 0.4419 0.779 0.034 Uiso 1 1 calc R . .
C21 C 0.9666(6) 0.4846(6) 0.7036(4) 0.042(2) Uani 1 1 d . . .
H21 H 1.0233 0.4702 0.7146 0.05 Uiso 1 1 calc R . .
C22 C 0.9501(6) 0.5220(7) 0.6495(5) 0.048(2) Uani 1 1 d . . .
H22 H 0.996 0.5355 0.6238 0.058 Uiso 1 1 calc R . .
C23 C 0.8631(6) 0.5400(6) 0.6327(4) 0.042(2) Uani 1 1 d . . .
H23 H 0.8499 0.5634 0.5948 0.051 Uiso 1 1 calc R . .
C24 C 0.7975(5) 0.5229(5) 0.6727(4) 0.0289(17) Uani 1 1 d . . .
C25 C 0.7022(6) 0.5328(5) 0.6557(4) 0.0331(18) Uani 1 1 d . . .
C26 C 0.6625(6) 0.5597(6) 0.5997(4) 0.042(2) Uani 1 1 d . . .
H26 H 0.699 0.5775 0.5688 0.051 Uiso 1 1 calc R . .
C27 C 0.5729(7) 0.5603(7) 0.5896(5) 0.051(2) Uani 1 1 d . . .
H27 H 0.5482 0.5795 0.5521 0.061 Uiso 1 1 calc R . .
C28 C 0.5154(7) 0.5331(6) 0.6338(5) 0.047(2) Uani 1 1 d . . .
H28 H 0.4524 0.5321 0.6261 0.056 Uiso 1 1 calc R . .
C29 C 0.5561(5) 0.5075(6) 0.6897(4) 0.0334(18) Uani 1 1 d . . .
C30 C 0.5077(5) 0.4703(6) 0.7405(4) 0.038(2) Uani 1 1 d . . .
C31 C 0.4149(6) 0.4611(7) 0.7398(5) 0.049(2) Uani 1 1 d . . .
H31 H 0.379 0.4799 0.7069 0.059 Uiso 1 1 calc R . .
C32 C 0.3748(6) 0.4236(7) 0.7882(6) 0.057(3) Uani 1 1 d . . .
H32 H 0.3126 0.4207 0.7907 0.069 Uiso 1 1 calc R . .
C33 C 0.4288(6) 0.3902(6) 0.8331(5) 0.050(2) Uani 1 1 d . . .
H33 H 0.4022 0.3613 0.8643 0.06 Uiso 1 1 calc R . .
C34 C 0.5205(6) 0.3997(5) 0.8315(4) 0.0358(19) Uani 1 1 d . . .
H34 H 0.5561 0.3779 0.8627 0.043 Uiso 1 1 calc R . .
C44 C 0.3058(7) 0.8023(6) 0.5972(5) 0.048(2) Uani 1 1 d . . .
H44 H 0.3614 0.8366 0.627 0.058 Uiso 1 1 calc R . .
C45 C 0.3097(7) 0.7371(6) 0.5383(5) 0.052(2) Uani 1 1 d . . .
H45 H 0.3672 0.729 0.529 0.062 Uiso 1 1 calc R . .
C46 C 0.2305(8) 0.6846(8) 0.4938(5) 0.069(3) Uani 1 1 d . . .
H46 H 0.2323 0.6388 0.4547 0.082 Uiso 1 1 calc R . .
C47 C 0.1464(8) 0.7015(7) 0.5084(5) 0.068(3) Uani 1 1 d . . .
H47 H 0.0907 0.6683 0.4784 0.082 Uiso 1 1 calc R . .
C48 C 0.1467(7) 0.7699(6) 0.5695(4) 0.045(2) Uani 1 1 d . . .
C49 C 0.0600(6) 0.7894(6) 0.5879(4) 0.040(2) Uani 1 1 d . . .
C50 C -0.0284(7) 0.7474(7) 0.5460(5) 0.054(3) Uani 1 1 d . . .
H50 H -0.034 0.7042 0.5037 0.065 Uiso 1 1 calc R . .
C51 C -0.1056(7) 0.7691(7) 0.5663(5) 0.053(2) Uani 1 1 d . . .
H51 H -0.1642 0.7421 0.5384 0.063 Uiso 1 1 calc R . .
C52 C -0.0947(7) 0.8321(7) 0.6294(5) 0.054(2) Uani 1 1 d . . .
H52 H -0.1462 0.848 0.6455 0.065 Uiso 1 1 calc R . .
C53 C -0.0073(6) 0.8714(6) 0.6685(5) 0.047(2) Uani 1 1 d . . .
H53 H -0.0008 0.9134 0.7115 0.056 Uiso 1 1 calc R . .
C54 C 0.1914(6) 0.7219(5) 0.7466(4) 0.0375(19) Uani 1 1 d . . .
H54 H 0.2135 0.6996 0.7066 0.045 Uiso 1 1 calc R . .
C55 C 0.1717(6) 0.6639(6) 0.7881(5) 0.041(2) Uani 1 1 d . . .
H55 H 0.1781 0.6026 0.7757 0.05 Uiso 1 1 calc R . .
C56 C 0.1423(6) 0.6966(6) 0.8485(5) 0.046(2) Uani 1 1 d . . .
H56 H 0.1332 0.6596 0.8792 0.055 Uiso 1 1 calc R . .
C57 C 0.1262(6) 0.7863(7) 0.8633(5) 0.046(2) Uani 1 1 d . . .
H57 H 0.1022 0.8081 0.9024 0.055 Uiso 1 1 calc R . .
C58 C 0.1466(5) 0.8425(5) 0.8187(4) 0.0297(17) Uani 1 1 d . . .
C59 C 0.1301(6) 0.9370(6) 0.8289(4) 0.042(2) Uani 1 1 d . . .
C60 C 0.0842(6) 0.9793(6) 0.8762(4) 0.040(2) Uani 1 1 d . . .
H60 H 0.0627 0.9495 0.9087 0.048 Uiso 1 1 calc R . .
C61 C 0.0703(7) 1.0650(7) 0.8755(5) 0.058(3) Uani 1 1 d . . .
H61 H 0.0402 1.0947 0.9081 0.069 Uiso 1 1 calc R . .
C62 C 0.1011(8) 1.1086(7) 0.8256(6) 0.062(3) Uani 1 1 d . . .
H62 H 0.0918 1.1674 0.8251 0.074 Uiso 1 1 calc R . .
C63 C 0.1442(7) 1.0650(6) 0.7785(5) 0.047(2) Uani 1 1 d . . .
C64 C 0.1745(7) 1.0958(6) 0.7181(5) 0.051(2) Uani 1 1 d . . .
C65 C 0.2213(8) 1.0518(8) 0.6135(6) 0.070(3) Uani 1 1 d . . .
H65 H 0.2345 1.006 0.5795 0.083 Uiso 1 1 calc R . .
C66 C 0.2208(9) 1.1380(9) 0.6014(7) 0.080(4) Uani 1 1 d . . .
H66 H 0.2352 1.1502 0.5605 0.096 Uiso 1 1 calc R . .
C67 C 0.1991(9) 1.2045(9) 0.6493(7) 0.085(4) Uani 1 1 d . . .
H67 H 0.202 1.2641 0.6431 0.102 Uiso 1 1 calc R . .
C68 C 0.1722(8) 1.1814(7) 0.7087(6) 0.068(3) Uani 1 1 d . . .
H68 H 0.1531 1.2243 0.7411 0.082 Uiso 1 1 calc R . .
N2 N 0.7557(4) 0.3881(4) 0.8418(3) 0.0261(14) Uani 1 1 d . . .
N1 N 0.6722(4) 0.3252(4) 0.7108(3) 0.0246(13) Uani 1 1 d . . .
N5 N 0.8156(4) 0.4891(4) 0.7288(3) 0.0230(13) Uani 1 1 d . . .
N4 N 0.6478(4) 0.5091(4) 0.7011(3) 0.0272(14) Uani 1 1 d . . .
N3 N 0.5620(4) 0.4394(4) 0.7867(3) 0.0296(14) Uani 1 1 d . . .
N7 N 0.2262(5) 0.8186(4) 0.6138(3) 0.0370(16) Uani 1 1 d . B .
N6 N 0.0681(5) 0.8523(4) 0.6480(3) 0.0347(16) Uani 1 1 d . B .
N8 N 0.1802(4) 0.8124(4) 0.7609(3) 0.0315(15) Uani 1 1 d . B .
N9 N 0.1615(5) 0.9802(4) 0.7818(3) 0.0374(17) Uani 1 1 d . B .
N10 N 0.2036(6) 1.0316(5) 0.6722(4) 0.053(2) Uani 1 1 d . B .
P1 P 0.73912(13) 0.61895(13) 0.85533(10) 0.0240(4) Uani 1 1 d . . .
P3 P 0.11750(15) 0.40258(15) 0.86760(11) 0.0328(5) Uani 1 1 d . . .
P4 P 0.20284(16) 0.48004(17) 0.60010(12) 0.0418(6) Uani 1 1 d . . .
Ru1 Ru 0.70094(4) 0.46289(4) 0.77640(3) 0.02321(18) Uani 1 1 d . . .
Ru2 Ru 0.20760(5) 0.90966(4) 0.70501(3) 0.0348(2) Uani 1 1 d . . .
C38 C 0.3964(7) 1.0534(6) 0.8516(5) 0.0586(16) Uani 1 1 d D . .
H38 H 0.4613 1.0531 0.8668 0.07 Uiso 1 1 calc R A 1
P2A P 0.3617(6) 0.9846(5) 0.7570(4) 0.0350(12) Uani 0.5 1 d P B 1
C35A C 0.4111(11) 1.0823(13) 0.7208(8) 0.0586(16) Uani 0.5 1 d PD B 1
H35A H 0.3624 1.1164 0.7175 0.07 Uiso 0.5 1 calc PR B 1
C36A C 0.4227(14) 1.0470(14) 0.6464(7) 0.0586(16) Uani 0.5 1 d PD B 1
H36A H 0.4137 1.092 0.6214 0.088 Uiso 0.5 1 d P C 1
H36B H 0.378 0.9882 0.625 0.088 Uiso 0.5 1 d P D 1
H36C H 0.4846 1.038 0.6464 0.088 Uiso 0.5 1 d P E 1
C37A C 0.4975(12) 1.1566(13) 0.7620(8) 0.0586(16) Uani 0.5 1 d PD B 1
H37A H 0.5496 1.1289 0.7651 0.088 Uiso 0.5 1 calc PR B 1
H37B H 0.4875 1.182 0.8078 0.088 Uiso 0.5 1 calc PR B 1
H37C H 0.5102 1.206 0.7393 0.088 Uiso 0.5 1 calc PR B 1
C39A C 0.3982(14) 1.1486(9) 0.8371(9) 0.0586(16) Uani 0.5 1 d PD B 1
H39A H 0.3357 1.1555 0.8284 0.088 Uiso 0.5 1 calc PR B 1
H39B H 0.426 1.1523 0.7973 0.088 Uiso 0.5 1 calc PR B 1
H39C H 0.434 1.1978 0.8765 0.088 Uiso 0.5 1 calc PR B 1
C40A C 0.3471(13) 1.0426(13) 0.9112(8) 0.0586(16) Uani 0.5 1 d PD B 1
H40A H 0.3875 1.079 0.9541 0.088 Uiso 0.5 1 calc PR B 1
H40B H 0.3312 0.9776 0.9113 0.088 Uiso 0.5 1 calc PR B 1
H40C H 0.2914 1.0643 0.906 0.088 Uiso 0.5 1 calc PR B 1
C41A C 0.4492(12) 0.9118(11) 0.7549(9) 0.0586(16) Uani 0.5 1 d PD B 1
H41A H 0.4784 0.9152 0.7145 0.07 Uiso 0.5 1 calc PR B 1
C42A C 0.4120(15) 0.8088(10) 0.7518(10) 0.0586(16) Uani 0.5 1 d PD B 1
H42A H 0.4624 0.784 0.7677 0.088 Uiso 0.5 1 calc PR B 1
H42B H 0.3838 0.7744 0.7049 0.088 Uiso 0.5 1 calc PR B 1
H42C H 0.3664 0.8031 0.7809 0.088 Uiso 0.5 1 calc PR B 1
C43A C 0.5252(12) 0.9573(12) 0.8209(9) 0.0586(16) Uani 0.5 1 d PD B 1
H43A H 0.497 0.9812 0.859 0.088 Uiso 0.5 1 calc PR B 1
H43B H 0.57 1.0079 0.8132 0.088 Uiso 0.5 1 calc PR B 1
H43C H 0.5559 0.9111 0.8316 0.088 Uiso 0.5 1 calc PR B 1
P2B P 0.3737(6) 0.9595(5) 0.7752(4) 0.0350(12) Uani 0.5 1 d P B 2
C35B C 0.4077(12) 0.8649(13) 0.8164(9) 0.063(2) Uani 0.5 1 d PD B 2
H35B H 0.3527 0.8399 0.8344 0.076 Uiso 0.5 1 calc PR B 2
C36B C 0.4184(15) 0.7815(13) 0.7629(9) 0.063(2) Uani 0.5 1 d PD B 2
H36D H 0.4623 0.8027 0.7357 0.095 Uiso 0.5 1 calc PR B 2
H36E H 0.3592 0.7499 0.7331 0.095 Uiso 0.5 1 calc PR B 2
H36F H 0.4404 0.7389 0.7858 0.095 Uiso 0.5 1 calc PR B 2
C37B C 0.4875(12) 0.8947(14) 0.8786(8) 0.063(2) Uani 0.5 1 d PD B 2
H37D H 0.4848 0.8453 0.9015 0.095 Uiso 0.5 1 calc PR B 2
H37E H 0.4822 0.9505 0.9103 0.095 Uiso 0.5 1 calc PR B 2
H37F H 0.5459 0.907 0.8633 0.095 Uiso 0.5 1 calc PR B 2
C39B C 0.3397(14) 1.1204(15) 0.8703(12) 0.063(2) Uani 0.5 1 d P B 2
H39D H 0.2832 1.0888 0.8815 0.095 Uiso 0.5 1 calc PR B 2
H39E H 0.3249 1.1458 0.832 0.095 Uiso 0.5 1 calc PR B 2
H39F H 0.3741 1.1704 0.9098 0.095 Uiso 0.5 1 calc PR B 2
C40B C 0.3689(14) 0.9759(15) 0.8967(12) 0.063(2) Uani 0.5 1 d P B 2
H40D H 0.3062 0.9716 0.9041 0.095 Uiso 0.5 1 calc PR B 2
H40E H 0.4108 0.9956 0.9407 0.095 Uiso 0.5 1 calc PR B 2
H40F H 0.3739 0.9156 0.8715 0.095 Uiso 0.5 1 calc PR B 2
C41B C 0.4721(12) 0.9930(12) 0.7279(9) 0.063(2) Uani 0.5 1 d PD B 2
H41B H 0.4906 0.9352 0.709 0.076 Uiso 0.5 1 calc PR B 2
C42B C 0.4466(14) 1.0320(15) 0.6668(9) 0.063(2) Uani 0.5 1 d PD B 2
H42D H 0.4362 1.0931 0.6835 0.095 Uiso 0.5 1 calc PR B 2
H42E H 0.3909 0.9908 0.6369 0.095 Uiso 0.5 1 calc PR B 2
H42F H 0.4966 1.0368 0.6414 0.095 Uiso 0.5 1 calc PR B 2
C43B C 0.5583(11) 1.0612(14) 0.7773(9) 0.063(2) Uani 0.5 1 d PD B 2
H43D H 0.6113 1.0629 0.755 0.095 Uiso 0.5 1 calc PR B 2
H43E H 0.5699 1.0405 0.8185 0.095 Uiso 0.5 1 calc PR B 2
H43F H 0.5477 1.1228 0.7895 0.095 Uiso 0.5 1 calc PR B 2
F1 F 0.1635(5) 0.4539(7) 0.8173(5) 0.122(3) Uani 1 1 d . . .
F2A F 0.0753(6) 0.3465(9) 0.9161(5) 0.169(5) Uani 1 1 d . . .
F3 F 0.0475(5) 0.4662(6) 0.8711(4) 0.100(2) Uani 1 1 d . . .
F4 F 0.1927(4) 0.3417(4) 0.8629(4) 0.0794(19) Uani 1 1 d . . .
F5A F 0.0461(5) 0.3305(5) 0.8063(4) 0.110(3) Uani 1 1 d . . .
F6 F 0.1902(5) 0.4740(5) 0.9309(4) 0.114(3) Uani 1 1 d . . .
F7 F 0.1052(5) 0.4107(5) 0.6017(3) 0.0809(19) Uani 1 1 d . . .
F8 F 0.2958(4) 0.5480(5) 0.6029(5) 0.099(3) Uani 1 1 d . . .
F9 F 0.1546(4) 0.5654(4) 0.6079(3) 0.0654(16) Uani 1 1 d . . .
F10 F 0.2519(5) 0.3958(4) 0.5925(3) 0.0746(18) Uani 1 1 d . . .
F11 F 0.1710(5) 0.4548(5) 0.5200(3) 0.086(2) Uani 1 1 d . . .
F12 F 0.2245(6) 0.4989(6) 0.6825(3) 0.107(3) Uani 1 1 d . . .
P5 P 0.6086(2) 0.8333(2) 0.57239(17) 0.0616(7) Uani 1 1 d . . .
F13 F 0.5486(7) 0.7882(6) 0.6209(5) 0.1337(13) Uani 1 1 d . . .
F14 F 0.6755(7) 0.8805(7) 0.5340(5) 0.1337(13) Uani 1 1 d . . .
F15 F 0.5341(7) 0.8890(6) 0.5578(5) 0.1337(13) Uani 1 1 d . . .
F16 F 0.6774(7) 0.7774(6) 0.5939(5) 0.1337(13) Uani 1 1 d . . .
F17 F 0.5562(7) 0.7483(7) 0.5121(5) 0.1337(13) Uani 1 1 d . . .
F18 F 0.6560(7) 0.9158(7) 0.6399(5) 0.1337(13) Uani 1 1 d . . .
P6 P 0.19003(19) 0.98121(16) 0.07315(14) 0.0501(6) Uani 1 1 d . . .
F19A F 0.2186(7) 1.0266(6) 0.0166(6) 0.1429(14) Uani 1 1 d . . .
F20 F 0.1447(7) 0.9367(6) 0.1305(6) 0.1429(14) Uani 1 1 d . . .
F21 F 0.1126(7) 0.9013(6) 0.0250(6) 0.1429(14) Uani 1 1 d . . .
F22A F 0.2745(7) 1.0616(6) 0.1196(6) 0.1429(14) Uani 1 1 d . . .
F23 F 0.1164(7) 1.0426(6) 0.0766(6) 0.1429(14) Uani 1 1 d . . .
F24A F 0.2573(7) 0.9221(6) 0.0900(6) 0.1429(14) Uani 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 0 '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'
F F 0.0171 0.0103 '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
C3 C1 C2 110.4(7) . . ?
C3 C1 P1 112.4(5) . . ?
C2 C1 P1 116.6(5) . . ?
C5 C4 C6 109.8(7) . . ?
C5 C4 P1 112.1(6) . . ?
C6 C4 P1 117.7(6) . . ?
C9 C7 C8 110.7(7) . . ?
C9 C7 P1 115.9(6) . . ?
C8 C7 P1 115.1(6) . . ?
N2 C10 C11 123.2(7) . . ?
C12 C11 C10 119.7(8) . . ?
C11 C12 C13 119.4(8) . . ?
C12 C13 C14 118.5(8) . . ?
N2 C14 C13 121.8(7) . . ?
N2 C14 C15 116.0(7) . . ?
C13 C14 C15 122.1(7) . . ?
N1 C15 C16 120.5(7) . . ?
N1 C15 C14 115.3(7) . . ?
C16 C15 C14 124.1(8) . . ?
C17 C16 C15 119.1(8) . . ?
C18 C17 C16 120.0(8) . . ?
C17 C18 C19 119.8(8) . . ?
N1 C19 C18 121.5(8) . . ?
N5 C20 C21 122.3(7) . . ?
C22 C21 C20 119.2(8) . . ?
C21 C22 C23 119.2(8) . . ?
C24 C23 C22 119.5(8) . . ?
N5 C24 C23 121.2(7) . . ?
N5 C24 C25 115.6(6) . . ?
C23 C24 C25 123.1(7) . . ?
N4 C25 C26 118.4(8) . . ?
N4 C25 C24 113.2(6) . . ?
C26 C25 C24 128.4(7) . . ?
C27 C26 C25 121.0(8) . . ?
C26 C27 C28 121.5(8) . . ?
C29 C28 C27 116.9(8) . . ?
N4 C29 C28 121.8(7) . . ?
N4 C29 C30 111.8(6) . . ?
C28 C29 C30 126.3(7) . . ?
C31 C30 N3 121.6(8) . . ?
C31 C30 C29 123.1(8) . . ?
N3 C30 C29 115.2(7) . . ?
C30 C31 C32 119.3(9) . . ?
C31 C32 C33 118.7(9) . . ?
C34 C33 C32 120.0(9) . . ?
N3 C34 C33 122.3(8) . . ?
N7 C44 C45 123.3(9) . . ?
C46 C45 C44 120.5(10) . . ?
C45 C46 C47 117.8(9) . . ?
C46 C47 C48 119.2(10) . . ?
N7 C48 C47 121.6(9) . . ?
N7 C48 C49 116.9(7) . . ?
C47 C48 C49 121.4(9) . . ?
N6 C49 C50 119.6(8) . . ?
N6 C49 C48 116.4(8) . . ?
C50 C49 C48 124.0(8) . . ?
C51 C50 C49 120.7(9) . . ?
C50 C51 C52 117.9(9) . . ?
C53 C52 C51 119.4(9) . . ?
N6 C53 C52 122.9(9) . . ?
C55 C54 N8 123.1(8) . . ?
C54 C55 C56 119.3(8) . . ?
C55 C56 C57 119.2(8) . . ?
C58 C57 C56 119.0(8) . . ?
N8 C58 C57 122.0(8) . . ?
N8 C58 C59 114.9(7) . . ?
C57 C58 C59 123.1(7) . . ?
N9 C59 C60 120.3(8) . . ?
N9 C59 C58 112.1(7) . . ?
C60 C59 C58 127.5(8) . . ?
C61 C60 C59 119.5(8) . . ?
C60 C61 C62 120.0(9) . . ?
C63 C62 C61 119.7(9) . . ?
C62 C63 N9 119.6(8) . . ?
C62 C63 C64 127.7(9) . . ?
N9 C63 C64 112.7(7) . . ?
C68 C64 N10 122.0(9) . . ?
C68 C64 C63 122.4(9) . . ?
N10 C64 C63 115.6(7) . . ?
N10 C65 C66 122.5(11) . . ?
C67 C66 C65 119.8(11) . . ?
C66 C67 C68 118.4(11) . . ?
C64 C68 C67 119.2(11) . . ?
C10 N2 C14 117.3(6) . . ?
C10 N2 Ru1 128.5(5) . . ?
C14 N2 Ru1 113.8(5) . . ?
C15 N1 C19 118.9(7) . . ?
C15 N1 Ru1 115.1(5) . . ?
C19 N1 Ru1 125.6(5) . . ?
C20 N5 C24 118.5(6) . . ?
C20 N5 Ru1 128.3(5) . . ?
C24 N5 Ru1 112.8(5) . . ?
C29 N4 C25 120.4(7) . . ?
C29 N4 Ru1 120.6(5) . . ?
C25 N4 Ru1 118.6(5) . . ?
C34 N3 C30 117.9(7) . . ?
C34 N3 Ru1 128.7(5) . . ?
C30 N3 Ru1 113.4(5) . . ?
C44 N7 C48 117.6(7) . . ?
C44 N7 Ru2 127.9(6) . . ?
C48 N7 Ru2 114.5(6) . . ?
C53 N6 C49 119.5(8) . . ?
C53 N6 Ru2 125.8(6) . . ?
C49 N6 Ru2 114.7(6) . . ?
C58 N8 C54 117.2(7) . . ?
C58 N8 Ru2 114.4(5) . . ?
C54 N8 Ru2 128.3(5) . . ?
C59 N9 C63 120.7(7) . . ?
C59 N9 Ru2 119.3(6) . . ?
C63 N9 Ru2 118.7(5) . . ?
C65 N10 C64 117.7(8) . . ?
C65 N10 Ru2 129.6(7) . . ?
C64 N10 Ru2 112.6(6) . . ?
C7 P1 C4 101.6(4) . . ?
C7 P1 C1 102.1(4) . . ?
C4 P1 C1 103.0(4) . . ?
C7 P1 Ru1 118.8(3) . . ?
C4 P1 Ru1 111.5(3) . . ?
C1 P1 Ru1 117.6(2) . . ?
F2A P3 F5A 87.9(6) . . ?
F2A P3 F1 176.2(6) . . ?
F5A P3 F1 91.3(5) . . ?
F2A P3 F3 94.9(5) . . ?
F5A P3 F3 87.9(4) . . ?
F1 P3 F3 88.9(4) . . ?
F2A P3 F6 90.9(6) . . ?
F5A P3 F6 178.6(5) . . ?
F1 P3 F6 89.8(5) . . ?
F3 P3 F6 92.9(4) . . ?
F2A P3 F4 87.9(5) . . ?
F5A P3 F4 93.3(4) . . ?
F1 P3 F4 88.4(4) . . ?
F3 P3 F4 177.0(4) . . ?
F6 P3 F4 85.9(4) . . ?
F8 P4 F11 95.9(4) . . ?
F8 P4 F10 90.2(4) . . ?
F11 P4 F10 90.4(4) . . ?
F8 P4 F9 89.3(3) . . ?
F11 P4 F9 89.7(4) . . ?
F10 P4 F9 179.4(4) . . ?
F8 P4 F12 90.5(5) . . ?
F11 P4 F12 173.6(5) . . ?
F10 P4 F12 90.0(4) . . ?
F9 P4 F12 90.0(4) . . ?
F8 P4 F7 176.8(4) . . ?
F11 P4 F7 87.1(4) . . ?
F10 P4 F7 90.7(4) . . ?
F9 P4 F7 89.8(3) . . ?
F12 P4 F7 86.5(4) . . ?
N4 Ru1 N3 78.9(2) . . ?
N4 Ru1 N5 79.8(2) . . ?
N3 Ru1 N5 157.7(2) . . ?
N4 Ru1 N1 91.7(2) . . ?
N3 Ru1 N1 89.3(2) . . ?
N5 Ru1 N1 84.7(2) . . ?
N4 Ru1 N2 168.4(2) . . ?
N3 Ru1 N2 102.6(2) . . ?
N5 Ru1 N2 97.0(2) . . ?
N1 Ru1 N2 76.9(2) . . ?
N4 Ru1 P1 90.87(18) . . ?
N3 Ru1 P1 92.00(17) . . ?
N5 Ru1 P1 94.92(16) . . ?
N1 Ru1 P1 177.32(17) . . ?
N2 Ru1 P1 100.49(17) . . ?
N9 Ru2 N8 78.9(3) . . ?
N9 Ru2 N10 80.0(3) . . ?
N8 Ru2 N10 158.1(3) . . ?
N9 Ru2 N7 167.5(3) . . ?
N8 Ru2 N7 98.0(2) . . ?
N10 Ru2 N7 101.4(3) . . ?
N9 Ru2 N6 90.2(3) . . ?
N8 Ru2 N6 87.5(2) . . ?
N10 Ru2 N6 86.8(3) . . ?
N7 Ru2 N6 77.4(3) . . ?
N9 Ru2 P2A 91.8(3) . . ?
N8 Ru2 P2A 100.1(2) . . ?
N10 Ru2 P2A 86.3(3) . . ?
N7 Ru2 P2A 100.7(3) . . ?
N6 Ru2 P2A 172.4(2) . . ?
N9 Ru2 P2B 91.8(3) . . ?
N8 Ru2 P2B 86.7(2) . . ?
N10 Ru2 P2B 99.7(3) . . ?
N7 Ru2 P2B 100.2(3) . . ?
N6 Ru2 P2B 173.4(2) . . ?
P2A Ru2 P2B 13.59(19) . . ?
C39B C38 C40A 64.7(10) . . ?
C39B C38 C39A 48.6(10) . . ?
C40A C38 C39A 110.9(6) . . ?
C39B C38 C40B 104.3(12) . . ?
C39A C38 C40B 151.6(10) . . ?
C39B C38 P2B 127.5(11) . . ?
C40A C38 P2B 120.6(9) . . ?
C39A C38 P2B 113.5(9) . . ?
C40B C38 P2B 89.4(9) . . ?
C39B C38 P2A 112.5(11) . . ?
C40A C38 P2A 129.2(10) . . ?
C39A C38 P2A 94.8(9) . . ?
C40B C38 P2A 105.9(9) . . ?
C35A P2A C41A 105.0(9) . . ?
C35A P2A C38 96.6(7) . . ?
C41A P2A C38 98.8(7) . . ?
C35A P2A Ru2 112.8(6) . . ?
C41A P2A Ru2 118.1(6) . . ?
C38 P2A Ru2 122.2(5) . . ?
C37A C35A C36A 110.2(9) . . ?
C37A C35A P2A 119.3(14) . . ?
C36A C35A P2A 111.8(13) . . ?
C42A C41A C43A 108.3(9) . . ?
C42A C41A P2A 116.3(14) . . ?
C43A C41A P2A 107.4(12) . . ?
C38 P2B C41B 104.7(7) . . ?
C38 P2B C35B 98.9(6) . . ?
C41B P2B C35B 104.0(9) . . ?
C38 P2B Ru2 116.1(5) . . ?
C41B P2B Ru2 117.2(5) . . ?
C35B P2B Ru2 113.7(6) . . ?
C36B C35B C37B 110.7(9) . . ?
C36B C35B P2B 112.3(13) . . ?
C37B C35B P2B 119.0(13) . . ?
C42B C41B C43B 109.5(7) . . ?
C42B C41B P2B 115.3(14) . . ?
C43B C41B P2B 111.8(13) . . ?
F14 P5 F17 97.9(6) . . ?
F14 P5 F16 91.4(5) . . ?
F17 P5 F16 90.2(5) . . ?
F14 P5 F15 94.2(5) . . ?
F17 P5 F15 91.8(5) . . ?
F16 P5 F15 173.7(6) . . ?
F14 P5 F18 88.4(5) . . ?
F17 P5 F18 173.6(6) . . ?
F16 P5 F18 89.1(5) . . ?
F15 P5 F18 88.3(5) . . ?
F14 P5 F13 172.8(6) . . ?
F17 P5 F13 88.0(5) . . ?
F16 P5 F13 84.3(5) . . ?
F15 P5 F13 89.7(5) . . ?
F18 P5 F13 85.6(5) . . ?
F21 P6 F19A 95.4(6) . . ?
F21 P6 F24A 97.4(5) . . ?
F19A P6 F24A 109.7(6) . . ?
F21 P6 F22A 176.2(6) . . ?
F19A P6 F22A 82.4(5) . . ?
F24A P6 F22A 80.5(5) . . ?
F21 P6 F23 87.0(5) . . ?
F19A P6 F23 84.7(6) . . ?
F24A P6 F23 164.3(6) . . ?
F22A P6 F23 95.9(5) . . ?
F21 P6 F20 80.8(5) . . ?
F19A P6 F20 171.3(6) . . ?
F24A P6 F20 78.6(5) . . ?
F22A P6 F20 101.8(5) . . ?
F23 P6 F20 87.3(5) . . ?
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
C1 C3 1.527(11) . ?
C1 C2 1.529(11) . ?
C1 P1 1.868(7) . ?
C4 C5 1.522(11) . ?
C4 C6 1.558(11) . ?
C4 P1 1.857(8) . ?
C7 C9 1.533(11) . ?
C7 C8 1.544(12) . ?
C7 P1 1.854(8) . ?
C10 N2 1.347(9) . ?
C10 C11 1.393(11) . ?
C11 C12 1.346(11) . ?
C12 C13 1.400(12) . ?
C13 C14 1.412(11) . ?
C14 N2 1.363(10) . ?
C14 C15 1.461(11) . ?
C15 N1 1.343(10) . ?
C15 C16 1.407(11) . ?
C16 C17 1.361(12) . ?
C17 C18 1.343(13) . ?
C18 C19 1.377(11) . ?
C19 N1 1.346(9) . ?
C20 N5 1.346(9) . ?
C20 C21 1.382(11) . ?
C21 C22 1.359(12) . ?
C22 C23 1.397(13) . ?
C23 C24 1.370(11) . ?
C24 N5 1.362(9) . ?
C24 C25 1.467(11) . ?
C25 N4 1.360(9) . ?
C25 C26 1.391(11) . ?
C26 C27 1.330(12) . ?
C27 C28 1.386(13) . ?
C28 C29 1.382(11) . ?
C29 N4 1.355(9) . ?
C29 C30 1.476(11) . ?
C30 C31 1.363(12) . ?
C30 N3 1.380(10) . ?
C31 C32 1.379(13) . ?
C32 C33 1.383(14) . ?
C33 C34 1.353(12) . ?
C34 N3 1.343(9) . ?
C44 N7 1.335(11) . ?
C44 C45 1.377(12) . ?
C45 C46 1.355(14) . ?
C46 C47 1.390(15) . ?
C47 C48 1.414(12) . ?
C48 N7 1.342(11) . ?
C48 C49 1.465(12) . ?
C49 N6 1.331(10) . ?
C49 C50 1.404(13) . ?
C50 C51 1.354(13) . ?
C51 C52 1.371(13) . ?
C52 C53 1.367(13) . ?
C53 N6 1.316(11) . ?
C54 C55 1.360(11) . ?
C54 N8 1.383(10) . ?
C55 C56 1.371(12) . ?
C56 C57 1.399(13) . ?
C57 C58 1.391(11) . ?
C58 N8 1.352(9) . ?
C58 C59 1.473(11) . ?
C59 N9 1.351(10) . ?
C59 C60 1.367(11) . ?
C60 C61 1.357(13) . ?
C61 C62 1.398(14) . ?
C62 C63 1.346(13) . ?
C63 N9 1.374(11) . ?
C63 C64 1.491(12) . ?
C64 C68 1.355(13) . ?
C64 N10 1.365(12) . ?
C65 N10 1.333(12) . ?
C65 C66 1.381(15) . ?
C66 C67 1.349(16) . ?
C67 C68 1.408(15) . ?
N2 Ru1 2.116(6) . ?
N1 Ru1 2.116(6) . ?
N5 Ru1 2.084(5) . ?
N4 Ru1 1.957(6) . ?
N3 Ru1 2.079(6) . ?
N7 Ru2 2.121(7) . ?
N6 Ru2 2.138(7) . ?
N8 Ru2 2.055(6) . ?
N9 Ru2 1.962(6) . ?
N10 Ru2 2.105(8) . ?
P1 Ru1 2.4284(19) . ?
P3 F2A 1.547(7) . ?
P3 F5A 1.550(7) . ?
P3 F1 1.557(6) . ?
P3 F3 1.561(6) . ?
P3 F6 1.577(7) . ?
P3 F4 1.595(6) . ?
P4 F8 1.529(7) . ?
P4 F11 1.557(6) . ?
P4 F10 1.586(6) . ?
P4 F9 1.594(6) . ?
P4 F12 1.599(7) . ?
P4 F7 1.616(7) . ?
Ru2 P2A 2.325(9) . ?
Ru2 P2B 2.556(8) . ?
C38 C39B 1.47(2) . ?
C38 C40A 1.513(7) . ?
C38 C39A 1.527(7) . ?
C38 C40B 1.66(2) . ?
C38 P2B 1.779(12) . ?
C38 P2A 1.898(12) . ?
P2A C35A 1.853(19) . ?
P2A C41A 1.88(2) . ?
C35A C37A 1.516(10) . ?
C35A C36A 1.521(10) . ?
C41A C42A 1.522(10) . ?
C41A C43A 1.546(10) . ?
P2B C41B 1.90(2) . ?
P2B C35B 1.93(2) . ?
C35B C36B 1.513(10) . ?
C35B C37B 1.525(10) . ?
C41B C42B 1.522(7) . ?
C41B C43B 1.532(7) . ?
P5 F14 1.504(11) . ?
P5 F17 1.533(10) . ?
P5 F16 1.540(9) . ?
P5 F15 1.568(10) . ?
P5 F18 1.583(10) . ?
P5 F13 1.583(11) . ?
P6 F21 1.523(10) . ?
P6 F19A 1.523(11) . ?
P6 F24A 1.534(10) . ?
P6 F22A 1.571(10) . ?
P6 F23 1.581(11) . ?
P6 F20 1.620(11) . ?
