#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/81/7008106.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_7008106
loop_
_publ_author_name
'Cowley, Andrew R.'
'Dilworth, Jonathan R.'
'Nairn, Alison K.'
'Robbie, Alasdair J.'
_publ_section_title
;
 Preparation and characterization of diarylphosphazene and
 diarylphosphinohydrazide complexes of titanium, tungsten and ruthenium
 and phosphorylketimido complexes of rhenium.
;
_journal_issue                   4
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              680
_journal_page_last               693
_journal_paper_doi               10.1039/b417068g
_journal_year                    2005
_chemical_absolute_configuration ad
_chemical_compound_source
;
synthesis as described
;
_chemical_formula_moiety         ' C24 H31 Cl1 N2 P Ru, B F4 '
_chemical_formula_sum            'C24 H31 B Cl F4 N2 P Ru'
_chemical_formula_weight         601.82
_chemical_name_systematic
;
?
;
_space_group_IT_number           33
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.7058(5)
_cell_length_b                   16.8368(5)
_cell_length_c                   10.5355(4)
_cell_measurement_reflns_used    18147
_cell_measurement_temperature    150
_cell_measurement_theta_max      28
_cell_measurement_theta_min      5
_cell_volume                     2608.58(15)
_computing_cell_refinement
;
KappaCCD software 'DENZO' (Otwinowski & Minor, 1996)
;
_computing_data_collection
;
KappaCCD software 'Collect' (Nonius, 2000)
;
_computing_data_reduction
;
KappaCCD software 'DENZO' (Otwinowski & Minor, 1996)
;
_computing_publication_material
;
CRYSTALS (Watkin et al, 2001)
;
_computing_structure_refinement
;
CRYSTALS (Watkin et al, 2001)
;
_computing_structure_solution    'SIR92 (Giacovazzo et al, 1992)'
_diffrn_ambient_temperature      150
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type
;
Nonius KappaCCD
;
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.054
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            18147
_diffrn_reflns_theta_full        27.462
_diffrn_reflns_theta_max         27.462
_diffrn_reflns_theta_min         5.188
_diffrn_standards_decay_%        0.00
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.809
_exptl_absorpt_correction_T_max  0.92
_exptl_absorpt_correction_T_min  0.75
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
Denzo/Scalepack (Otwinowski & Minor, 1996)
;
_exptl_crystal_colour            ' orange-yellow '
_exptl_crystal_density_diffrn    1.532
_exptl_crystal_description       ' prism '
_exptl_crystal_F_000             1224
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.66
_refine_diff_density_min         -0.66
_refine_ls_abs_structure_details 'Flack, 2478 Friedel-pairs'
_refine_ls_abs_structure_Flack   0.46(4)
_refine_ls_extinction_method     None
_refine_ls_goodness_of_fit_ref   1.1040
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     312
_refine_ls_number_reflns         4337
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0529
_refine_ls_R_factor_gt           0.0343
_refine_ls_shift/su_max          0.009429
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details
;
Method, part 1, Chebychev polynomial, (Watkin, 1994, Prince, 1982)
[weight] = 1.0/[A₀*T₀(x)+A₁*T₁(x) ... +Aₙ₋₁]*Tₙ₋₁(x)]
where Ai are the Chebychev coefficients listed below and x= Fcalc/Fmax
Method = Robust Weighting (Prince, 1982)
W = [weight] * [1-(deltaF/6*sigmaF)²]²
Ai are:
0.389 0.0439 0.113
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.0614
_refine_ls_wR_factor_gt          0.0367
_refine_ls_wR_factor_ref         0.0367
_reflns_limit_h_max              19
_reflns_limit_h_min              0
_reflns_limit_k_max              21
_reflns_limit_k_min              0
_reflns_limit_l_max              13
_reflns_limit_l_min              -13
_reflns_number_gt                4337
_reflns_number_total             5587
_reflns_threshold_expression     I>3.00u(I)
_cod_data_source_file            b417068g.txt
_cod_data_source_block           arc942
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
according to '/home/adriana/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1555 2011-01-17 13:19:09Z saulius 
;
_cod_original_cell_volume        2608.57(15)
_cod_original_sg_symbol_H-M      'P n a 21 '
_cod_original_formula_sum        ' C24 H31 B Cl F4 N2 P Ru '
_cod_database_code               7008106
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y+1/2,z+1/2
x+1/2,-y+1/2,z
-x,-y,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_occupancy
_atom_site_adp_type
Ru1 Ru 0.615207(17) 0.409724(16) 0.46274(8) 0.0222 1.0000 Uani
Cl1 Cl 0.52398(7) 0.51085(6) 0.36678(12) 0.0295 1.0000 Uani
P1 P 0.48054(6) 0.33905(5) 0.47372(14) 0.0227 1.0000 Uani
N1 N 0.4974(2) 0.3114(2) 0.3246(4) 0.0273 1.0000 Uani
N2 N 0.5898(2) 0.3352(2) 0.2925(4) 0.0284 1.0000 Uani
C1 C 0.5883(4) 0.3727(3) 0.1654(4) 0.0381 1.0000 Uani
C2 C 0.6482(3) 0.2634(3) 0.2862(5) 0.0396 1.0000 Uani
C3 C 0.3688(2) 0.3846(2) 0.4772(6) 0.0248 1.0000 Uani
C4 C 0.3116(3) 0.3781(3) 0.3736(4) 0.0292 1.0000 Uani
C5 C 0.2269(3) 0.4155(3) 0.3737(5) 0.0346 1.0000 Uani
C6 C 0.2000(3) 0.4596(2) 0.4790(6) 0.0321 1.0000 Uani
C7 C 0.2562(3) 0.4651(3) 0.5815(5) 0.0361 1.0000 Uani
C8 C 0.3411(3) 0.4289(3) 0.5829(4) 0.0323 1.0000 Uani
C9 C 0.4692(3) 0.2519(3) 0.5749(5) 0.0290 1.0000 Uani
C10 C 0.4841(3) 0.1756(3) 0.5297(5) 0.0369 1.0000 Uani
C11 C 0.4772(4) 0.1106(3) 0.6103(6) 0.0473 1.0000 Uani
C12 C 0.4555(4) 0.1223(4) 0.7360(7) 0.0539 1.0000 Uani
C13 C 0.4413(4) 0.1980(4) 0.7841(6) 0.0503 1.0000 Uani
C14 C 0.4470(4) 0.2631(3) 0.7031(5) 0.0420 1.0000 Uani
C15 C 0.7231(3) 0.5036(3) 0.5046(4) 0.0286 1.0000 Uani
C16 C 0.6630(3) 0.4902(3) 0.6111(4) 0.0304 1.0000 Uani
C17 C 0.6520(3) 0.4139(3) 0.6630(4) 0.0306 1.0000 Uani
C18 C 0.6980(3) 0.3473(3) 0.6122(4) 0.0310 1.0000 Uani
C19 C 0.7503(3) 0.3595(3) 0.5020(5) 0.0339 1.0000 Uani
C20 C 0.7654(2) 0.4368(3) 0.4509(6) 0.0304 1.0000 Uani
C21 C 0.7405(3) 0.5848(3) 0.4468(6) 0.0360 1.0000 Uani
C22 C 0.8425(4) 0.6032(3) 0.4558(11) 0.0615 1.0000 Uani
C23 C 0.6847(4) 0.6515(3) 0.5065(5) 0.0481 1.0000 Uani
C24 C 0.6916(4) 0.2648(3) 0.6717(6) 0.0430 1.0000 Uani
B1 B 0.4053(5) 0.1434(4) 0.1574(6) 0.0465 1.0000 Uani
F1 F 0.3662(2) 0.1855(2) 0.2566(3) 0.0523 1.0000 Uani
F2 F 0.4782(3) 0.1881(3) 0.1161(4) 0.0706 1.0000 Uani
F3 F 0.4256(4) 0.0688(3) 0.2007(5) 0.0873 1.0000 Uani
F4 F 0.3406(3) 0.1389(2) 0.0606(4) 0.0795 1.0000 Uani
H1 H 0.474(3) 0.268(3) 0.288(5) 0.028(13) 1.0000 Uiso
H11 H 0.6513 0.3895 0.1417 0.0457 1.0000 Uiso
H12 H 0.5476 0.4202 0.1672 0.0457 1.0000 Uiso
H13 H 0.5651 0.3337 0.1016 0.0457 1.0000 Uiso
H21 H 0.7118 0.2793 0.2642 0.0475 1.0000 Uiso
H22 H 0.6478 0.2360 0.3704 0.0475 1.0000 Uiso
H23 H 0.6242 0.2265 0.2197 0.0475 1.0000 Uiso
H41 H 0.3310 0.3464 0.2981 0.0351 1.0000 Uiso
H51 H 0.1857 0.4106 0.2985 0.0415 1.0000 Uiso
H61 H 0.1398 0.4872 0.4794 0.0385 1.0000 Uiso
H71 H 0.2358 0.4959 0.6575 0.0433 1.0000 Uiso
H81 H 0.3819 0.4345 0.6583 0.0387 1.0000 Uiso
H101 H 0.5000 0.1674 0.4383 0.0443 1.0000 Uiso
H111 H 0.4880 0.0558 0.5772 0.0568 1.0000 Uiso
H121 H 0.4497 0.0753 0.7936 0.0647 1.0000 Uiso
H131 H 0.4272 0.2057 0.8762 0.0603 1.0000 Uiso
H141 H 0.4352 0.3177 0.7362 0.0504 1.0000 Uiso
H161 H 0.6287 0.5359 0.6483 0.0365 1.0000 Uiso
H171 H 0.6107 0.4065 0.7376 0.0367 1.0000 Uiso
H191 H 0.7777 0.3126 0.4581 0.0407 1.0000 Uiso
H201 H 0.8066 0.4435 0.3762 0.0364 1.0000 Uiso
H211 H 0.7204 0.5824 0.3562 0.0431 1.0000 Uiso
H221 H 0.8547 0.6566 0.4180 0.0738 1.0000 Uiso
H222 H 0.8616 0.6031 0.5469 0.0738 1.0000 Uiso
H223 H 0.8776 0.5619 0.4083 0.0738 1.0000 Uiso
H231 H 0.6997 0.7030 0.4639 0.0578 1.0000 Uiso
H232 H 0.6993 0.6554 0.5990 0.0578 1.0000 Uiso
H233 H 0.6184 0.6399 0.4957 0.0578 1.0000 Uiso
H241 H 0.7411 0.2582 0.7360 0.0516 1.0000 Uiso
H242 H 0.6311 0.2585 0.7140 0.0516 1.0000 Uiso
H243 H 0.6984 0.2235 0.6040 0.0516 1.0000 Uiso
loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_Cromer_Mann_a1
_atom_type_scat_Cromer_Mann_b1
_atom_type_scat_Cromer_Mann_a2
_atom_type_scat_Cromer_Mann_b2
_atom_type_scat_Cromer_Mann_a3
_atom_type_scat_Cromer_Mann_b3
_atom_type_scat_Cromer_Mann_a4
_atom_type_scat_Cromer_Mann_b4
_atom_type_scat_Cromer_Mann_c
_atom_type_scat_source
'C   ' 0.0033 0.0016 2.3100 20.8439 1.0200 10.2075 1.5886 0.5687 0.8650 51.6512
0.2156 International_Tables_Vol_IV_Table_2.2B
'H   ' 0.0000 0.0000 0.4930 10.5109 0.3229 26.1257 0.1402 3.1424 0.0408 57.7998
0.0030 International_Tables_Vol_IV_Table_2.2B
'B   ' 0.0013 0.0007 2.0545 23.2185 1.3326 1.0210 1.0979 60.3498 0.7068 0.1403
-0.1932 International_Tables_Vol_IV_Table_2.2B
'Cl  ' 0.1484 0.1585 11.4604 0.0104 7.1964 1.1662 6.2556 18.5194 1.6455 47.7784
-9.5574 International_Tables_Vol_IV_Table_2.2B
'F   ' 0.0171 0.0103 3.5392 10.2825 2.6412 4.2944 1.5170 0.2615 1.0243 26.1476
0.2776 International_Tables_Vol_IV_Table_2.2B
'N   ' 0.0061 0.0033 12.2126 0.0057 3.1322 9.8933 2.0125 28.9975 1.1663 0.5826
-11.5290 International_Tables_Vol_IV_Table_2.2B
'P   ' 0.1023 0.0942 6.4345 1.9067 4.1791 27.1570 1.7800 0.5260 1.4908 68.1645
1.1149 International_Tables_Vol_IV_Table_2.2B
'Ru  ' -1.2594 0.8363 19.2674 0.8085 12.9182 8.4347 4.8634 24.7997 1.5676
94.2928 5.3787 International_Tables_Vol_IV_Table_2.2B
loop_
_geom_angle_atom_site_label_1
_geom_angle_site_symmetry_1
_geom_angle_atom_site_label_2
_geom_angle_site_symmetry_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
Cl1 . Ru1 . P1 . 84.67(4) yes
Cl1 . Ru1 . N2 . 88.08(10) yes
P1 . Ru1 . N2 . 66.79(10) yes
Cl1 . Ru1 . C15 . 88.78(12) yes
P1 . Ru1 . C15 . 160.33(12) yes
N2 . Ru1 . C15 . 131.62(15) yes
Cl1 . Ru1 . C16 . 92.37(13) yes
P1 . Ru1 . C16 . 123.96(12) yes
N2 . Ru1 . C16 . 169.24(15) yes
C15 . Ru1 . C16 . 37.70(16) yes
Cl1 . Ru1 . C17 . 121.70(14) yes
P1 . Ru1 . C17 . 100.41(12) yes
N2 . Ru1 . C17 . 147.35(16) yes
C15 . Ru1 . C17 . 67.55(16) yes
C16 . Ru1 . C17 . 37.58(17) yes
Cl1 . Ru1 . C18 . 158.67(13) yes
P1 . Ru1 . C18 . 100.84(12) yes
N2 . Ru1 . C18 . 113.09(16) yes
C15 . Ru1 . C18 . 79.16(16) yes
C16 . Ru1 . C18 . 67.36(18) yes
Cl1 . Ru1 . C19 . 149.32(13) yes
P1 . Ru1 . C19 . 124.52(13) yes
N2 . Ru1 . C19 . 94.96(16) yes
C15 . Ru1 . C19 . 66.52(17) yes
C16 . Ru1 . C19 . 79.23(18) yes
Cl1 . Ru1 . C20 . 112.43(13) yes
P1 . Ru1 . C20 . 160.68(11) yes
N2 . Ru1 . C20 . 103.52(18) yes
C15 . Ru1 . C20 . 36.02(16) yes
C16 . Ru1 . C20 . 66.41(18) yes
C17 . Ru1 . C18 . 37.21(18) yes
C17 . Ru1 . C19 . 66.80(18) yes
C18 . Ru1 . C19 . 36.88(17) yes
C17 . Ru1 . C20 . 78.7(2) yes
C18 . Ru1 . C20 . 66.65(18) yes
C19 . Ru1 . C20 . 37.25(18) yes
Ru1 . P1 . N1 . 88.24(13) yes
Ru1 . P1 . C3 . 124.01(12) yes
N1 . P1 . C3 . 105.9(2) yes
Ru1 . P1 . C9 . 121.46(14) yes
N1 . P1 . C9 . 110.0(2) yes
C3 . P1 . C9 . 104.2(2) yes
P1 . N1 . N2 . 106.4(3) yes
P1 . N1 . H1 . 126(3) yes
N2 . N1 . H1 . 119(3) yes
Ru1 . N2 . N1 . 97.2(2) yes
Ru1 . N2 . C1 . 119.5(3) yes
N1 . N2 . C1 . 108.3(4) yes
Ru1 . N2 . C2 . 113.5(3) yes
N1 . N2 . C2 . 109.0(3) yes
C1 . N2 . C2 . 108.4(4) yes
N2 . C1 . H11 . 109.466 no
N2 . C1 . H12 . 109.465 no
H11 . C1 . H12 . 109.476 no
N2 . C1 . H13 . 109.467 no
H11 . C1 . H13 . 109.477 no
H12 . C1 . H13 . 109.476 no
N2 . C2 . H21 . 109.465 no
N2 . C2 . H22 . 109.467 no
H21 . C2 . H22 . 109.476 no
N2 . C2 . H23 . 109.466 no
H21 . C2 . H23 . 109.475 no
H22 . C2 . H23 . 109.478 no
P1 . C3 . C4 . 120.2(4) yes
P1 . C3 . C8 . 120.3(4) yes
C4 . C3 . C8 . 119.5(4) yes
C3 . C4 . C5 . 120.5(4) yes
C3 . C4 . H41 . 119.733 no
C5 . C4 . H41 . 119.734 no
C4 . C5 . C6 . 119.6(4) yes
C4 . C5 . H51 . 120.209 no
C6 . C5 . H51 . 120.209 no
C5 . C6 . C7 . 119.8(4) yes
C5 . C6 . H61 . 120.117 no
C7 . C6 . H61 . 120.116 no
C6 . C7 . C8 . 121.5(4) yes
C6 . C7 . H71 . 119.242 no
C8 . C7 . H71 . 119.241 no
C3 . C8 . C7 . 119.1(4) yes
C3 . C8 . H81 . 120.439 no
C7 . C8 . H81 . 120.438 no
P1 . C9 . C10 . 122.1(4) yes
P1 . C9 . C14 . 118.5(4) yes
C10 . C9 . C14 . 119.5(4) yes
C9 . C10 . C11 . 120.5(5) yes
C9 . C10 . H101 . 119.730 no
C11 . C10 . H101 . 119.730 no
C10 . C11 . C12 . 119.5(5) yes
C10 . C11 . H111 . 120.232 no
C12 . C11 . H111 . 120.232 no
C11 . C12 . C13 . 121.2(5) yes
C11 . C12 . H121 . 119.417 no
C13 . C12 . H121 . 119.416 no
C12 . C13 . C14 . 119.3(6) yes
C12 . C13 . H131 . 120.331 no
C14 . C13 . H131 . 120.331 no
C9 . C14 . C13 . 119.9(5) yes
C9 . C14 . H141 . 120.032 no
C13 . C14 . H141 . 120.033 no
Ru1 . C15 . C16 . 67.5(2) yes
Ru1 . C15 . C20 . 71.1(2) yes
C16 . C15 . C20 . 117.3(4) yes
Ru1 . C15 . C21 . 131.6(3) yes
C16 . C15 . C21 . 123.7(4) yes
C20 . C15 . C21 . 119.0(4) yes
Ru1 . C16 . C15 . 74.8(2) yes
Ru1 . C16 . C17 . 71.0(2) yes
C15 . C16 . C17 . 121.0(4) yes
Ru1 . C16 . H161 . 126.596 no
C15 . C16 . H161 . 119.508 no
C17 . C16 . H161 . 119.508 no
Ru1 . C17 . C16 . 71.4(2) yes
Ru1 . C17 . C18 . 74.1(3) yes
C16 . C17 . C18 . 121.4(4) yes
Ru1 . C17 . H171 . 127.273 no
C16 . C17 . H171 . 119.281 no
C18 . C17 . H171 . 119.281 no
Ru1 . C18 . C17 . 68.7(2) yes
Ru1 . C18 . C19 . 69.5(2) yes
C17 . C18 . C19 . 117.2(4) yes
Ru1 . C18 . C24 . 132.7(3) yes
C17 . C18 . C24 . 122.4(4) yes
C19 . C18 . C24 . 120.3(4) yes
Ru1 . C19 . C18 . 73.6(2) yes
Ru1 . C19 . C20 . 73.7(2) yes
C18 . C19 . C20 . 122.0(5) yes
Ru1 . C19 . H191 . 125.504 no
C18 . C19 . H191 . 118.998 no
C20 . C19 . H191 . 118.997 no
Ru1 . C20 . C15 . 72.9(2) yes
Ru1 . C20 . C19 . 69.1(2) yes
C15 . C20 . C19 . 120.7(5) yes
Ru1 . C20 . H201 . 131.175 no
C15 . C20 . H201 . 119.674 no
C19 . C20 . H201 . 119.675 no
C15 . C21 . C22 . 108.8(4) yes
C15 . C21 . C23 . 114.0(5) yes
C22 . C21 . C23 . 110.6(5) yes
C15 . C21 . H211 . 107.201 no
C22 . C21 . H211 . 110.857 no
C23 . C21 . H211 . 105.310 no
C21 . C22 . H221 . 109.467 no
C21 . C22 . H222 . 109.466 no
H221 . C22 . H222 . 109.476 no
C21 . C22 . H223 . 109.467 no
H221 . C22 . H223 . 109.475 no
H222 . C22 . H223 . 109.476 no
C21 . C23 . H231 . 109.469 no
C21 . C23 . H232 . 109.466 no
H231 . C23 . H232 . 109.476 no
C21 . C23 . H233 . 109.467 no
H231 . C23 . H233 . 109.475 no
H232 . C23 . H233 . 109.474 no
C18 . C24 . H241 . 109.466 no
C18 . C24 . H242 . 109.466 no
H241 . C24 . H242 . 109.475 no
C18 . C24 . H243 . 109.467 no
H241 . C24 . H243 . 109.476 no
H242 . C24 . H243 . 109.477 no
F1 . B1 . F2 . 106.2(5) yes
F1 . B1 . F3 . 108.0(5) yes
F2 . B1 . F3 . 115.9(7) yes
F1 . B1 . F4 . 107.1(6) yes
F2 . B1 . F4 . 109.2(5) yes
F3 . B1 . F4 . 110.0(5) yes
loop_
_geom_bond_atom_site_label_1
_geom_bond_site_symmetry_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Ru1 . Cl1 . 2.3918(11) yes
Ru1 . P1 . 2.3133(9) yes
Ru1 . N2 . 2.221(4) yes
Ru1 . C15 . 2.282(4) yes
Ru1 . C16 . 2.184(4) yes
Ru1 . C17 . 2.180(4) yes
Ru1 . C18 . 2.251(4) yes
Ru1 . C19 . 2.198(4) yes
Ru1 . C20 . 2.259(4) yes
P1 . N1 . 1.658(4) yes
P1 . C3 . 1.813(4) yes
P1 . C9 . 1.822(4) yes
N1 . N2 . 1.457(5) yes
N1 . H1 . 0.89(5) yes
N2 . C1 . 1.480(6) yes
N2 . C2 . 1.484(6) yes
C1 . H11 . 1.000 no
C1 . H12 . 1.000 no
C1 . H13 . 1.000 no
C2 . H21 . 1.000 no
C2 . H22 . 1.000 no
C2 . H23 . 1.000 no
C3 . C4 . 1.383(7) yes
C3 . C8 . 1.401(7) yes
C4 . C5 . 1.395(6) yes
C4 . H41 . 1.000 no
C5 . C6 . 1.393(7) yes
C5 . H51 . 1.000 no
C6 . C7 . 1.362(8) yes
C6 . H61 . 1.000 no
C7 . C8 . 1.390(7) yes
C7 . H71 . 1.000 no
C8 . H81 . 1.000 no
C9 . C10 . 1.387(7) yes
C9 . C14 . 1.402(7) yes
C10 . C11 . 1.388(7) yes
C10 . H101 . 1.000 no
C11 . C12 . 1.377(10) yes
C11 . H111 . 1.000 no
C12 . C13 . 1.387(10) yes
C12 . H121 . 1.000 no
C13 . C14 . 1.392(8) yes
C13 . H131 . 1.000 no
C14 . H141 . 1.000 no
C15 . C16 . 1.446(6) yes
C15 . C20 . 1.404(6) yes
C15 . C21 . 1.519(6) yes
C16 . C17 . 1.406(7) yes
C16 . H161 . 1.000 no
C17 . C18 . 1.415(7) yes
C17 . H171 . 1.000 no
C18 . C19 . 1.408(7) yes
C18 . C24 . 1.528(7) yes
C19 . C20 . 1.425(7) yes
C19 . H191 . 1.000 no
C20 . H201 . 1.000 no
C21 . C22 . 1.534(6) yes
C21 . C23 . 1.527(7) yes
C21 . H211 . 1.000 no
C22 . H221 . 1.000 no
C22 . H222 . 1.000 no
C22 . H223 . 1.000 no
C23 . H231 . 1.000 no
C23 . H232 . 1.000 no
C23 . H233 . 1.000 no
C24 . H241 . 1.000 no
C24 . H242 . 1.000 no
C24 . H243 . 1.000 no
B1 . F1 . 1.388(7) yes
B1 . F2 . 1.381(7) yes
B1 . F3 . 1.369(9) yes
B1 . F4 . 1.396(8) yes
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_publ_flag
N1 H1 F1 0.89(5) 2.14(5) 2.954(5) 152(5) yes
N1 H1 F2 0.89(5) 2.26(6) 3.034(5) 145(4) yes
