#------------------------------------------------------------------------------
#$Date: 2015-07-04 13:35:30 +0300 (Sat, 04 Jul 2015) $
#$Revision: 140004 $
#$URL: svn://www.crystallography.net/cod/cif/7/11/74/7117417.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_7117417
loop_
_publ_author_name
'Harriet L. Steel'
'Sarah L. Allinson'
'Jane Andre'
'Michael P. Coogan'
'James A. Platts'
_publ_section_title
;
 Platinum trimethyl bipyridyl thiolates -- new, tunable, red- to near IR
 emitting luminophores for bioimaging applications
;
_journal_name_full               Chem.Commun.
_journal_page_first              11441
_journal_paper_doi               10.1039/C5cc04003E
_journal_volume                  51
_journal_year                    2015
_chemical_formula_moiety         'C19 H22 N3 O Pt, F6 P'
_chemical_formula_sum            'C19 H22 F6 N3 O P Pt'
_chemical_formula_weight         648.45
_chemical_name_common            3
_chemical_name_systematic        3
_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_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_primary     iterative
_audit_creation_date             2015-01-23
_audit_creation_method
;
Olex2 1.2
(compiled 2015.01.19 svn.r3143 for OlexSys, GUI svn.r4992)
;
_audit_update_record
;
2015-01-23 deposited with the CCDC.
2015-06-10 downloaded from the CCDC.
;
_cell_angle_alpha                108.296(4)
_cell_angle_beta                 97.486(4)
_cell_angle_gamma                95.712(3)
_cell_formula_units_Z            2
_cell_length_a                   9.1410(4)
_cell_length_b                   9.5731(4)
_cell_length_c                   13.2139(6)
_cell_measurement_reflns_used    5181
_cell_measurement_temperature    99.98(13)
_cell_measurement_theta_max      72.9880
_cell_measurement_theta_min      4.9140
_cell_volume                     1076.33(9)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33e (release 21-05-2014 CrysAlis171 .NET)
(compiled May 21 2014,18:02:45)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33e (release 21-05-2014 CrysAlis171 .NET)
(compiled May 21 2014,18:02:45)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33e (release 21-05-2014 CrysAlis171 .NET)
(compiled May 21 2014,18:02:45)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'olex2.refine (Bourhis et al., 2015)'
_computing_structure_solution    'olex2.solve (Bourhis et al., 2015)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      99.98(13)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 5.2299
_diffrn_detector_type            AtlasS2
_diffrn_measured_fraction_theta_full 0.9480
_diffrn_measured_fraction_theta_max 0.9445
_diffrn_measurement_details
;
  1 omega  -50.00   33.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      -38.5000   38.0000   60.0000 83

  2 omega    1.00   82.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -       43.1418  -99.0000  150.0000 81

  3 omega   24.00  109.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      103.5913  -94.0000  120.0000 85

  4 omega   42.00  120.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      103.5913 -125.0000   60.0000 78

  5 omega   30.00   81.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      103.5913  -30.0000 -120.0000 51

  6 omega   87.00  176.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      103.5913   30.0000  -90.0000 89

  7 omega   96.00  168.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      103.5913  125.0000 -180.0000 72

  8 omega   87.00  173.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      103.5913   45.0000    0.0000 86

  9 omega   32.00  134.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      103.5913  -77.0000 -150.0000 102

 10 omega   30.00   89.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      103.5913  -30.0000   90.0000 59

 11 omega -107.00  -16.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      -38.5000  -57.0000  -90.0000 91
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, AtlasS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.1510005000
_diffrn_orient_matrix_UB_12      0.0982480000
_diffrn_orient_matrix_UB_13      0.0162706000
_diffrn_orient_matrix_UB_21      -0.0747380000
_diffrn_orient_matrix_UB_22      0.1404531000
_diffrn_orient_matrix_UB_23      0.0376030000
_diffrn_orient_matrix_UB_31      0.0341260000
_diffrn_orient_matrix_UB_32      0.0016877000
_diffrn_orient_matrix_UB_33      0.1177022000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0205
_diffrn_reflns_av_unetI/netI     0.0304
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            6376
_diffrn_reflns_theta_full        73.0082
_diffrn_reflns_theta_max         73.01
_diffrn_reflns_theta_min         3.58
_diffrn_source                   'sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    13.529
_exptl_absorpt_correction_T_max  0.535
_exptl_absorpt_correction_T_min  0.292
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33e (release 21-05-2014 CrysAlis171 .NET)
(compiled May 21 2014,18:02:45)
Numerical absorption correction based on gaussian integration over
            a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            white
_exptl_crystal_density_diffrn    2.0007
_exptl_crystal_description       needle
_exptl_crystal_F_000             617.9334
_exptl_crystal_size_max          0.1742
_exptl_crystal_size_mid          0.1256
_exptl_crystal_size_min          0.0673
_refine_diff_density_max         1.0092
_refine_diff_density_min         -1.4797
_refine_diff_density_rms         0.1276
_refine_ls_d_res_high            0.8061
_refine_ls_d_res_low             12.3611
_refine_ls_goodness_of_fit_ref   0.6730
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_constraints    38
_refine_ls_number_parameters     283
_refine_ls_number_reflns         4066
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.6730
_refine_ls_R_factor_all          0.0227
_refine_ls_R_factor_gt           0.0211
_refine_ls_shift/su_max          0.0002
_refine_ls_shift/su_mean         0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0723
_refine_ls_wR_factor_ref         0.0755
_reflns_Friedel_coverage         0.0
_reflns_limit_h_max              10
_reflns_limit_h_min              -10
_reflns_limit_k_max              11
_reflns_limit_k_min              -11
_reflns_limit_l_max              16
_reflns_limit_l_min              0
_reflns_number_gt                3878
_reflns_number_total             4066
_reflns_threshold_expression     I>=2u(I)
_cod_data_source_file            c5cc04003e2.cif
_cod_data_source_block           MC35
_cod_original_cell_volume        1076.32(9)
_cod_database_code               7117417
_chemical_oxdiff_formula         'C18 H23 Pt N3 O PF6'
_reflns_odcompleteness_completeness 98.65
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_olex2_refinement_description
;
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -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_refinement_flags_posn
Pt1 Pt -0.003563(12) 0.048142(12) 0.747661(9) 0.01437(8) Uani 1.000000 .
N5 N -0.0924(3) 0.1898(3) 0.6612(2) 0.0149(6) Uani 1.000000 .
N6 N 0.0714(3) 0.2406(4) 0.8926(2) 0.0147(6) Uani 1.000000 .
N7 N -0.1944(4) 0.0651(3) 0.8288(3) 0.0159(6) Uani 1.000000 .
C2aa C -0.3280(4) -0.0209(4) 0.7887(3) 0.0188(7) Uani 1.000000 .
C3aa C -0.4342(4) 0.1235(4) 0.9346(3) 0.0211(7) Uani 1.000000 .
C4aa C 0.0157(4) 0.3698(4) 1.0663(3) 0.0180(7) Uani 1.000000 .
C0aa C -0.0263(4) 0.2659(4) 0.9622(3) 0.0159(6) Uani 1.000000 .
C16 C -0.2957(4) 0.2099(4) 0.9785(3) 0.0186(7) Uani 1.000000 .
C1aa C -0.1767(4) 0.1793(4) 0.9234(3) 0.0152(6) Uani 1.000000 .
C20 C -0.4491(4) 0.0047(4) 0.8401(3) 0.0207(7) Uani 1.000000 .
C5aa C 0.2087(4) 0.3180(4) 0.9235(3) 0.0182(7) Uani 1.000000 .
C6aa C 0.2580(4) 0.4229(4) 1.0250(3) 0.0199(7) Uani 1.000000 .
C18 C -0.0874(5) -0.1451(5) 0.6219(3) 0.0248(8) Uani 1.000000 .
C19 C 0.0841(5) -0.0807(5) 0.8313(3) 0.0241(8) Uani 1.000000 .
C10 C -0.0052(4) 0.3115(4) 0.6629(3) 0.0177(7) Uani 1.000000 .
C11 C -0.2937(4) 0.2554(4) 0.5591(3) 0.0171(7) Uani 1.000000 .
C12 C -0.2341(4) 0.1613(4) 0.6087(3) 0.0157(6) Uani 1.000000 .
C13 C -0.0570(4) 0.4110(4) 0.6146(3) 0.0199(7) Uani 1.000000 .
C14 C 0.1832(5) 0.0432(5) 0.6769(3) 0.0230(8) Uani 1.000000 .
C15 C 0.1608(4) 0.4472(4) 1.0988(3) 0.0225(7) Uani 1.000000 .
C17 C -0.2045(4) 0.3839(4) 0.5633(3) 0.0175(7) Uani 1.000000 .
H10 H 0.0935(4) 0.3303(4) 0.6976(3) 0.0212(8) Uiso 1.000000 R
H12 H -0.2941(4) 0.0752(4) 0.6056(3) 0.0188(8) Uiso 1.000000 R
H17 H -0.2427(4) 0.4504(4) 0.5324(3) 0.0210(8) Uiso 1.000000 R
H13 H 0.0063(4) 0.4945(4) 0.6166(3) 0.0239(8) Uiso 1.000000 R
H5aa H 0.2745(4) 0.3006(4) 0.8743(3) 0.0218(8) Uiso 1.000000 R
H6aa H 0.3540(4) 0.4758(4) 1.0432(3) 0.0238(8) Uiso 1.000000 R
H15 H 0.1916(4) 0.5138(4) 1.1686(3) 0.0270(9) Uiso 1.000000 R
H4aa H -0.0526(4) 0.3873(4) 1.1135(3) 0.0216(8) Uiso 1.000000 R
H2aa H -0.3389(4) -0.1000(4) 0.7243(3) 0.0225(8) Uiso 1.000000 R
H16 H -0.2825(4) 0.2874(4) 1.0439(3) 0.0223(8) Uiso 1.000000 R
H3aa H -0.5162(4) 0.1455(4) 0.9684(3) 0.0253(9) Uiso 1.000000 R
H20 H -0.5399(4) -0.0575(4) 0.8116(3) 0.0248(8) Uiso 1.000000 R
H18a H -0.148(3) -0.1224(6) 0.5660(11) 0.0372(13) Uiso 1.000000 GR
H18b H -0.0064(5) -0.1917(19) 0.5934(17) 0.0372(13) Uiso 1.000000 GR
H18c H -0.146(3) -0.2113(15) 0.6476(6) 0.0372(13) Uiso 1.000000 GR
H14a H 0.1581(8) 0.050(3) 0.6059(10) 0.0344(12) Uiso 1.000000 GR
H14b H 0.2578(13) 0.1255(19) 0.7202(13) 0.0344(12) Uiso 1.000000 GR
H14c H 0.221(2) -0.0484(15) 0.671(2) 0.0344(12) Uiso 1.000000 GR
H19a H 0.1745(19) -0.0265(13) 0.8789(18) 0.0361(13) Uiso 1.000000 GR
H19b H 0.0134(14) -0.106(3) 0.8728(19) 0.0361(13) Uiso 1.000000 GR
H19c H 0.106(3) -0.1702(16) 0.7812(4) 0.0361(13) Uiso 1.000000 GR
P1 P 0.58495(9) 0.44418(9) 1.26998(7) 0.01547(17) Uani 1.000000 .
F5 F 0.7271(3) 0.4601(3) 1.21332(18) 0.0344(6) Uani 1.000000 .
F6 F 0.4439(3) 0.4275(3) 1.3273(2) 0.0355(6) Uani 1.000000 .
F1 F 0.6743(2) 0.5635(2) 1.38063(17) 0.0245(5) Uani 1.000000 .
F2 F 0.4969(2) 0.3240(2) 1.15929(17) 0.0244(4) Uani 1.000000 .
F3 F 0.6485(3) 0.3134(2) 1.30631(18) 0.0286(5) Uani 1.000000 .
F4 F 0.5240(3) 0.5765(3) 1.2355(2) 0.0375(6) Uani 1.000000 .
O1 O -0.5497(3) 0.1494(3) 0.5540(2) 0.0234(5) Uani 1.000000 .
C2 C -0.4540(4) 0.2110(4) 0.4981(3) 0.0202(7) Uani 1.000000 .
H1 H -0.570(5) 0.2163(6) 0.604(3) 0.0351(8) Uiso 1.000000 GR
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_a2
_atom_type_scat_Cromer_Mann_a3
_atom_type_scat_Cromer_Mann_a4
_atom_type_scat_Cromer_Mann_b1
_atom_type_scat_Cromer_Mann_b2
_atom_type_scat_Cromer_Mann_b3
_atom_type_scat_Cromer_Mann_b4
_atom_type_scat_Cromer_Mann_c
_atom_type_scat_source
_atom_type_scat_dispersion_source
C 0.01920 0.00962 2.31000 1.02000 1.58860 0.86500 20.84390 10.20750 0.56870
51.65120 0.215599998832
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
Pt -4.33214 7.24634 27.00590 17.76390 15.71310 5.78370 1.51293 8.81174 0.42459
38.61030 11.6883001328
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
F 0.07537 0.05506 3.53920 2.64120 1.51700 1.02430 10.28250 4.29440 0.26150
26.14760 0.277599990368
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
H 0.00000 0.00000 0.49300 0.32291 0.14019 0.04081 10.51090 26.12570 3.14236
57.79970 0.0030380000826
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
O 0.05239 0.03377 3.04850 2.28680 1.54630 0.86700 13.27710 5.70110 0.32390
32.90890 0.250800013542
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
N 0.03256 0.01839 12.21260 3.13220 2.01250 1.16630 0.00570 9.89330 28.99750
0.58260 -11.5290002823
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
P 0.30360 0.43703 6.43450 4.17910 1.78000 1.49080 1.90670 27.15700 0.52600
68.16450 1.11489999294
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
-3 3 5 0.0236 -2.9911 2.9923 5.0013 -0.0763 0.8319 0.4916
0 1 -8 0.0364 -0.0108 1.0054 -7.9966 -0.0330 -0.1587 -0.9399
0 -6 5 0.0337 0.0028 -5.9983 4.9959 -0.5076 -0.6548 0.5780
0 6 -5 0.0337 -0.0028 5.9983 -4.9959 0.5076 0.6548 -0.5780
-5 3 3 0.0185 -4.9943 2.9933 3.0035 -0.4112 0.9066 0.1881
4 -4 5 0.0692 4.0049 -3.9990 4.9938 0.2931 -0.6732 0.7177
0 4 3 0.0518 0.0072 3.9939 3.0003 0.4423 0.6732 0.3601
-5 1 -4 0.0311 -5.0059 1.0008 -3.9945 -0.7226 0.3645 -0.6393
5 0 -6 0.1105 4.9922 0.0062 -6.0013 0.6568 -0.5979 -0.5360
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
N6 Pt1 N5 90.47(11) . .
N7 Pt1 N5 88.58(12) . .
N7 Pt1 N6 76.58(11) . .
C18 Pt1 N5 93.58(14) . .
C18 Pt1 N6 173.18(13) . .
C18 Pt1 N7 98.01(15) . .
C19 Pt1 N5 178.54(12) . .
C19 Pt1 N6 88.28(15) . .
C19 Pt1 N7 91.86(15) . .
C19 Pt1 C18 87.73(17) . .
C14 Pt1 N5 91.03(15) . .
C14 Pt1 N6 100.25(14) . .
C14 Pt1 N7 176.80(12) . .
C14 Pt1 C18 85.18(17) . .
C14 Pt1 C19 88.45(18) . .
C10 N5 Pt1 119.3(2) . .
C12 N5 Pt1 122.1(2) . .
C12 N5 C10 118.6(3) . .
C0aa N6 Pt1 114.3(2) . .
C5aa N6 Pt1 125.7(2) . .
C5aa N6 C0aa 119.2(3) . .
C2aa N7 Pt1 124.9(2) . .
C1aa N7 Pt1 115.4(2) . .
C1aa N7 C2aa 119.5(3) . .
C20 C2aa N7 121.9(3) . .
C20 C3aa C16 119.2(3) . .
C15 C4aa C0aa 119.6(3) . .
C4aa C0aa N6 120.7(3) . .
C1aa C0aa N6 116.9(3) . .
C1aa C0aa C4aa 122.3(3) . .
C1aa C16 C3aa 119.2(3) . .
C0aa C1aa N7 115.9(3) . .
C16 C1aa N7 120.8(3) . .
C16 C1aa C0aa 123.3(3) . .
C3aa C20 C2aa 119.3(3) . .
C6aa C5aa N6 123.3(3) . .
C15 C6aa C5aa 118.4(3) . .
C13 C10 N5 122.3(3) . .
C17 C11 C12 119.0(3) . .
C2 C11 C12 118.6(3) . .
C2 C11 C17 122.3(3) . .
C11 C12 N5 122.4(3) . .
C17 C13 C10 119.0(3) . .
C6aa C15 C4aa 118.7(3) . .
C13 C17 C11 118.6(3) . .
F6 P1 F5 179.44(16) . .
F1 P1 F5 89.76(12) . .
F1 P1 F6 90.03(12) . .
F2 P1 F5 89.93(12) . .
F2 P1 F6 90.28(13) . .
F2 P1 F1 179.50(13) . .
F3 P1 F5 89.65(14) . .
F3 P1 F6 89.83(14) . .
F3 P1 F1 89.51(12) . .
F3 P1 F2 90.10(12) . .
F4 P1 F5 90.05(16) . .
F4 P1 F6 90.46(16) . .
F4 P1 F1 89.48(12) . .
F4 P1 F2 90.92(12) . .
F4 P1 F3 178.94(13) . .
O1 C2 C11 112.1(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pt1 N5 2.180(3) .
Pt1 N6 2.174(3) .
Pt1 N7 2.157(3) .
Pt1 C18 2.056(4) .
Pt1 C19 2.051(4) .
Pt1 C14 2.048(4) .
N5 C10 1.337(5) .
N5 C12 1.346(5) .
N6 C0aa 1.349(5) .
N6 C5aa 1.335(5) .
N7 C2aa 1.345(5) .
N7 C1aa 1.356(5) .
C2aa C20 1.375(5) .
C3aa C16 1.387(5) .
C3aa C20 1.380(5) .
C4aa C0aa 1.398(5) .
C4aa C15 1.396(5) .
C0aa C1aa 1.471(5) .
C16 C1aa 1.391(5) .
C5aa C6aa 1.385(5) .
C6aa C15 1.385(5) .
C10 C13 1.389(5) .
C11 C12 1.383(5) .
C11 C17 1.389(5) .
C11 C2 1.527(5) .
C13 C17 1.388(5) .
P1 F5 1.599(2) .
P1 F6 1.597(2) .
P1 F1 1.601(2) .
P1 F2 1.601(2) .
P1 F3 1.608(2) .
P1 F4 1.600(3) .
O1 C2 1.413(4) .
