#------------------------------------------------------------------------------
#$Date: 2022-08-06 14:43:45 +0300 (Sat, 06 Aug 2022) $
#$Revision: 277104 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/71/1567152.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_1567152
loop_
_publ_author_name
'Jain, Anant Kumar'
'Gau, Michael R.'
'Carroll, Patrick J.'
'Goldberg, Karen I.'
_publ_section_title
;
 The underappreciated influence of ancillary halide on metal-ligand proton
 tautomerism.
;
_journal_issue                   26
_journal_name_full               'Chemical science'
_journal_page_first              7837
_journal_page_last               7845
_journal_paper_doi               10.1039/d2sc00279e
_journal_volume                  13
_journal_year                    2022
_chemical_formula_moiety         'C23 H42 Ir N4 O P2, F6 P'
_chemical_formula_sum            'C23 H42 F6 Ir N4 O P3'
_chemical_formula_weight         789.71
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2019-12-03
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2021-11-23 deposited with the CCDC.	2022-05-23 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 92.963(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.0735(2)
_cell_length_b                   10.6615(2)
_cell_length_c                   23.5954(4)
_cell_measurement_reflns_used    30592
_cell_measurement_temperature    100
_cell_measurement_theta_max      30.8480
_cell_measurement_theta_min      2.4820
_cell_volume                     3033.18(9)
_computing_cell_refinement       'CrysAlisPro 1.171.40.61a (Rigaku OD, 2019)'
_computing_data_collection       'CrysAlisPro 1.171.40.61a (Rigaku OD, 2019)'
_computing_data_reduction        'CrysAlisPro 1.171.40.61a (Rigaku OD, 2019)'
_computing_molecular_graphics    'ORTEP-3 (Farrugia, 2012)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100
_diffrn_detector                 'HPC area detector'
_diffrn_detector_area_resol_mean 10.0
_diffrn_detector_type            'Dectris Pilatus3 R 200K detector'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.887
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -68.00  21.00   0.50    2.00    --    5.07 -57.00-180.00  178
  2  ω    -23.00  39.00   0.50    2.00    --    5.07 -99.00 -60.00  124
  3  ω     39.00  84.00   0.50    2.00    --    5.07-178.00  90.00   90
  4  ω    -23.00  39.00   0.50    2.00    --    5.07 -99.00 -90.00  124
  5  ω    -23.00  29.00   0.50    2.00    --   -5.38 -99.00 -30.00  104
  6  ω    -83.00  -4.00   0.50    2.00    --   -5.38 -37.00 120.00  158
  7  ω    -59.00 -33.00   0.50    2.00    --   -5.38 -57.00  90.00   52
  8  ω      2.00  29.00   0.50    2.00    --   -5.38 -99.00-120.00   54
  9  ω    -19.00   9.00   0.50    2.00    --   -5.38 -99.00  30.00   56
 10  ω    -78.00  10.00   0.50    2.00    --   -5.38 -57.00  30.00  176
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  Rigaku_Synergy-S_Dectris
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0019729000
_diffrn_orient_matrix_UB_12      -0.0080728000
_diffrn_orient_matrix_UB_13      -0.0298900000
_diffrn_orient_matrix_UB_21      -0.0514882000
_diffrn_orient_matrix_UB_22      0.0320509000
_diffrn_orient_matrix_UB_23      -0.0022318000
_diffrn_orient_matrix_UB_31      0.0283841000
_diffrn_orient_matrix_UB_32      0.0577064000
_diffrn_orient_matrix_UB_33      -0.0029145000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0449
_diffrn_reflns_av_unetI/netI     0.0304
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.887
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            58706
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.887
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.779
_diffrn_reflns_theta_min         2.354
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    4.621
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.70006
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SCALE3 ABSPACK'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.729
_exptl_crystal_description       block
_exptl_crystal_F_000             1568
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.11
_refine_diff_density_max         1.009
_refine_diff_density_min         -0.839
_refine_diff_density_rms         0.112
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.081
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     355
_refine_ls_number_reflns         8416
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.081
_refine_ls_R_factor_all          0.0280
_refine_ls_R_factor_gt           0.0206
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0216P)²+0.4746P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0452
_refine_ls_wR_factor_ref         0.0467
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7357
_reflns_number_total             8416
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2sc00279e2.cif
_cod_data_source_block           8015
_cod_depositor_comments
'Adding full bibliography for 1567146--1567153.cif.'
_cod_database_code               1567152
_shelx_shelxl_version_number     2018/3
_diffrn_oxdiff_digest_frames
;
013cda0f9a9d233eeb4bd83f1961e3f187000265ab7
;
_diffrn_oxdiff_digest_hkl
;
01a4b93f6f1b0bc95ea00b1d9687d0ca143bc4
;
_reflns_odcompleteness_completeness 99.90
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     27.42
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.247
_oxdiff_exptl_absorpt_empirical_full_min 0.801
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ir1 Ir 0.67358(2) 0.88253(2) 0.63476(2) 0.00943(3) Uani 1 1 d . . . . .
P1 P 0.49100(4) 0.80951(5) 0.63494(2) 0.01050(10) Uani 1 1 d . . . . .
P2 P 0.86538(4) 0.90325(5) 0.64386(2) 0.01022(10) Uani 1 1 d . . . . .
O1 O 0.62583(13) 1.15575(14) 0.63402(7) 0.0214(3) Uani 1 1 d . . . . .
N1 N 0.66839(13) 0.68240(17) 0.63262(7) 0.0140(4) Uani 1 1 d . . . . .
N2 N 0.54201(15) 0.53469(16) 0.62869(7) 0.0156(4) Uani 1 1 d . . . . .
H2 H 0.478571 0.497895 0.628091 0.019 Uiso 1 1 calc R . . . .
N3 N 1.01408(15) 0.70443(17) 0.62528(8) 0.0194(4) Uani 1 1 d . . . . .
N4 N 0.88620(15) 0.73317(17) 0.55571(8) 0.0172(4) Uani 1 1 d . . . . .
H4 H 0.830242 0.764362 0.536562 0.021 Uiso 1 1 calc R . . . .
C1 C 0.55972(17) 0.65898(19) 0.63306(8) 0.0126(4) Uani 1 1 d . . . . .
C2 C 0.72163(18) 0.5686(2) 0.62805(10) 0.0175(4) Uani 1 1 d . . . . .
H2a H 0.797770 0.556444 0.626981 0.021 Uiso 1 1 calc R . . . .
C3 C 0.64267(19) 0.4772(2) 0.62538(10) 0.0191(5) Uani 1 1 d . . . . .
H3 H 0.654981 0.391521 0.621931 0.023 Uiso 1 1 calc R . . . .
C4 C 0.42099(17) 0.8189(2) 0.70353(9) 0.0147(4) Uani 1 1 d . . . . .
C5 C 0.51393(19) 0.8129(2) 0.75042(9) 0.0197(5) Uani 1 1 d . . . . .
H5a H 0.555945 0.737304 0.746383 0.030 Uiso 1 1 calc GR . . . .
H5b H 0.482071 0.813592 0.786868 0.030 Uiso 1 1 calc GR . . . .
H5c H 0.561866 0.884182 0.747333 0.030 Uiso 1 1 calc GR . . . .
C6 C 0.36136(19) 0.9459(2) 0.70603(10) 0.0222(5) Uani 1 1 d . . . . .
H6a H 0.412748 1.012155 0.698984 0.033 Uiso 1 1 calc GR . . . .
H6b H 0.332757 0.956902 0.742914 0.033 Uiso 1 1 calc GR . . . .
H6c H 0.301318 0.948124 0.677736 0.033 Uiso 1 1 calc GR . . . .
C7 C 0.33988(19) 0.7110(2) 0.71214(10) 0.0223(5) Uani 1 1 d . . . . .
H7a H 0.279741 0.715884 0.683982 0.033 Uiso 1 1 calc GR . . . .
H7b H 0.311308 0.717005 0.749267 0.033 Uiso 1 1 calc GR . . . .
H7c H 0.377737 0.632421 0.708583 0.033 Uiso 1 1 calc GR . . . .
C8 C 0.39964(17) 0.82390(19) 0.56956(9) 0.0137(4) Uani 1 1 d . . . . .
C9 C 0.28914(17) 0.7545(2) 0.57183(9) 0.0186(4) Uani 1 1 d . . . . .
H9a H 0.302694 0.668468 0.581987 0.028 Uiso 1 1 calc GR . . . .
H9b H 0.250427 0.758314 0.535296 0.028 Uiso 1 1 calc GR . . . .
H9c H 0.244917 0.793168 0.599636 0.028 Uiso 1 1 calc GR . . . .
C10 C 0.46601(19) 0.7694(2) 0.52112(9) 0.0205(5) Uani 1 1 d . . . . .
H10a H 0.537761 0.808329 0.521517 0.031 Uiso 1 1 calc GR . . . .
H10b H 0.426962 0.785517 0.485385 0.031 Uiso 1 1 calc GR . . . .
H10c H 0.474597 0.680609 0.526328 0.031 Uiso 1 1 calc GR . . . .
C11 C 0.38048(19) 0.9644(2) 0.55886(10) 0.0189(5) Uani 1 1 d . . . . .
H11a H 0.337290 0.998418 0.588240 0.028 Uiso 1 1 calc GR . . . .
H11b H 0.341495 0.975827 0.522735 0.028 Uiso 1 1 calc GR . . . .
H11c H 0.450647 1.006714 0.558915 0.028 Uiso 1 1 calc GR . . . .
C12 C 0.92680(17) 0.77204(19) 0.60789(9) 0.0134(4) Uani 1 1 d . . . . .
C13 C 1.0280(2) 0.6190(2) 0.58269(11) 0.0247(5) Uani 1 1 d . . . . .
H13 H 1.082928 0.557794 0.583371 0.030 Uiso 1 1 calc R . . . .
C14 C 0.9508(2) 0.6357(2) 0.53951(11) 0.0236(5) Uani 1 1 d . . . . .
H14 H 0.943428 0.590216 0.505882 0.028 Uiso 1 1 calc R . . . .
C15 C 0.91143(17) 0.88543(19) 0.72096(9) 0.0136(4) Uani 1 1 d . . . . .
C16 C 0.87091(18) 0.7549(2) 0.73899(9) 0.0195(5) Uani 1 1 d . . . . .
H16a H 0.793940 0.745422 0.727474 0.029 Uiso 1 1 calc GR . . . .
H16b H 0.880165 0.746819 0.779478 0.029 Uiso 1 1 calc GR . . . .
H16c H 0.913405 0.691251 0.721237 0.029 Uiso 1 1 calc GR . . . .
C17 C 0.85107(18) 0.9832(2) 0.75592(9) 0.0193(5) Uani 1 1 d . . . . .
H17a H 0.874502 1.065790 0.745689 0.029 Uiso 1 1 calc GR . . . .
H17b H 0.868511 0.969343 0.795588 0.029 Uiso 1 1 calc GR . . . .
H17c H 0.772486 0.975402 0.748338 0.029 Uiso 1 1 calc GR . . . .
C18 C 1.03689(18) 0.8958(2) 0.73366(9) 0.0177(4) Uani 1 1 d . . . . .
H18a H 1.074361 0.835359 0.711371 0.027 Uiso 1 1 calc GR . . . .
H18b H 1.053599 0.879965 0.773235 0.027 Uiso 1 1 calc GR . . . .
H18c H 1.061269 0.978652 0.724341 0.027 Uiso 1 1 calc GR . . . .
C19 C 0.93282(17) 1.0412(2) 0.60905(9) 0.0150(4) Uani 1 1 d . . . . .
C20 C 0.91793(19) 1.1620(2) 0.64328(10) 0.0203(5) Uani 1 1 d . . . . .
H20a H 0.840766 1.173624 0.649783 0.030 Uiso 1 1 calc GR . . . .
H20b H 0.944439 1.232238 0.622422 0.030 Uiso 1 1 calc GR . . . .
H20c H 0.959266 1.155658 0.679024 0.030 Uiso 1 1 calc GR . . . .
C21 C 0.87410(18) 1.0575(2) 0.55026(9) 0.0196(5) Uani 1 1 d . . . . .
H21a H 0.881577 0.981919 0.528659 0.029 Uiso 1 1 calc GR . . . .
H21b H 0.907085 1.126063 0.530863 0.029 Uiso 1 1 calc GR . . . .
H21c H 0.796905 1.074623 0.554483 0.029 Uiso 1 1 calc GR . . . .
C22 C 1.05687(17) 1.0186(2) 0.60132(10) 0.0204(5) Uani 1 1 d . . . . .
H22a H 1.094623 1.007558 0.637790 0.031 Uiso 1 1 calc GR . . . .
H22b H 1.087584 1.089523 0.582561 0.031 Uiso 1 1 calc GR . . . .
H22c H 1.065889 0.944717 0.578786 0.031 Uiso 1 1 calc GR . . . .
C23 C 0.64642(16) 1.0494(2) 0.63465(8) 0.0135(4) Uani 1 1 d . . . . .
P3 P 0.28999(5) 0.32630(5) 0.58979(2) 0.01581(11) Uani 1 1 d . . . . .
F1 F 0.31518(11) 0.43713(12) 0.63608(6) 0.0243(3) Uani 1 1 d . . . . .
F2 F 0.29211(12) 0.22506(13) 0.63921(6) 0.0276(3) Uani 1 1 d . . . . .
F3 F 0.26649(11) 0.21848(12) 0.54297(6) 0.0222(3) Uani 1 1 d . . . . .
F4 F 0.28756(14) 0.42902(13) 0.54037(6) 0.0348(4) Uani 1 1 d . . . . .
F5 F 0.42114(11) 0.31006(14) 0.58491(6) 0.0296(3) Uani 1 1 d . . . . .
F6 F 0.15985(11) 0.34451(14) 0.59576(7) 0.0306(3) 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 0.0000 0.0000 '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'
Ir Ir -1.4442 7.9887 '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'
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
P2 Ir1 P1 165.040(18) . . ?
N1 Ir1 P1 68.95(4) . . ?
N1 Ir1 P2 97.18(5) . . ?
C23 Ir1 P1 99.02(6) . . ?
C23 Ir1 P2 94.95(6) . . ?
C23 Ir1 N1 167.87(8) . . ?
C1 P1 Ir1 82.05(7) . . ?
C1 P1 C4 107.32(9) . . ?
C1 P1 C8 107.87(9) . . ?
C4 P1 Ir1 116.93(7) . . ?
C8 P1 Ir1 119.40(7) . . ?
C8 P1 C4 116.10(10) . . ?
C12 P2 Ir1 108.22(7) . . ?
C12 P2 C15 105.46(9) . . ?
C12 P2 C19 101.60(10) . . ?
C15 P2 Ir1 108.80(7) . . ?
C15 P2 C19 112.70(9) . . ?
C19 P2 Ir1 118.90(7) . . ?
C1 N1 Ir1 102.37(13) . . ?
C1 N1 C2 107.32(17) . . ?
C2 N1 Ir1 150.15(14) . . ?
C1 N2 C3 107.91(17) . . ?
C12 N3 C13 105.05(19) . . ?
C12 N4 C14 107.44(18) . . ?
N1 C1 P1 106.63(14) . . ?
N1 C1 N2 109.62(18) . . ?
N2 C1 P1 143.59(16) . . ?
C3 C2 N1 107.74(18) . . ?
C2 C3 N2 107.40(19) . . ?
C5 C4 P1 106.00(14) . . ?
C5 C4 C6 109.59(18) . . ?
C6 C4 P1 108.33(14) . . ?
C7 C4 P1 113.33(15) . . ?
C7 C4 C5 108.77(18) . . ?
C7 C4 C6 110.68(18) . . ?
C9 C8 P1 114.40(14) . . ?
C9 C8 C10 109.35(17) . . ?
C9 C8 C11 110.71(17) . . ?
C10 C8 P1 106.00(14) . . ?
C11 C8 P1 107.19(14) . . ?
C11 C8 C10 108.97(17) . . ?
N3 C12 P2 127.78(16) . . ?
N3 C12 N4 110.91(18) . . ?
N4 C12 P2 121.29(15) . . ?
C14 C13 N3 111.0(2) . . ?
C13 C14 N4 105.6(2) . . ?
C16 C15 P2 105.98(14) . . ?
C17 C15 P2 109.00(14) . . ?
C17 C15 C16 107.33(17) . . ?
C18 C15 P2 114.88(14) . . ?
C18 C15 C16 109.61(17) . . ?
C18 C15 C17 109.72(17) . . ?
C20 C19 P2 111.06(15) . . ?
C20 C19 C22 109.57(18) . . ?
C21 C19 P2 106.95(14) . . ?
C21 C19 C20 108.63(18) . . ?
C21 C19 C22 108.54(18) . . ?
C22 C19 P2 111.97(15) . . ?
O1 C23 Ir1 177.99(18) . . ?
F2 P3 F1 90.31(8) . . ?
F2 P3 F3 90.81(7) . . ?
F2 P3 F4 179.56(9) . . ?
F2 P3 F5 90.05(8) . . ?
F2 P3 F6 89.80(8) . . ?
F3 P3 F1 178.71(8) . . ?
F4 P3 F1 89.31(8) . . ?
F4 P3 F3 89.58(8) . . ?
F4 P3 F5 90.14(9) . . ?
F5 P3 F1 88.60(7) . . ?
F5 P3 F3 90.76(7) . . ?
F6 P3 F1 90.18(7) . . ?
F6 P3 F3 90.46(8) . . ?
F6 P3 F4 90.00(9) . . ?
F6 P3 F5 178.77(8) . . ?
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
Ir1 P1 2.3379(5) . ?
Ir1 P2 2.3251(5) . ?
Ir1 N1 2.1351(18) . ?
Ir1 C23 1.809(2) . ?
P1 C1 1.808(2) . ?
P1 C4 1.867(2) . ?
P1 C8 1.856(2) . ?
P2 C12 1.814(2) . ?
P2 C15 1.884(2) . ?
P2 C19 1.890(2) . ?
O1 C23 1.160(3) . ?
N1 C1 1.336(3) . ?
N1 C2 1.380(3) . ?
N2 C1 1.345(3) . ?
N2 C3 1.367(3) . ?
N3 C12 1.324(3) . ?
N3 C13 1.373(3) . ?
N4 C12 1.366(3) . ?
N4 C14 1.366(3) . ?
C2 C3 1.362(3) . ?
C4 C5 1.536(3) . ?
C4 C6 1.536(3) . ?
C4 C7 1.531(3) . ?
C8 C9 1.529(3) . ?
C8 C10 1.543(3) . ?
C8 C11 1.534(3) . ?
C13 C14 1.356(4) . ?
C15 C16 1.542(3) . ?
C15 C17 1.536(3) . ?
C15 C18 1.533(3) . ?
C19 C20 1.536(3) . ?
C19 C21 1.535(3) . ?
C19 C22 1.537(3) . ?
P3 F1 1.6270(14) . ?
P3 F2 1.5883(14) . ?
P3 F3 1.6092(13) . ?
P3 F4 1.5990(15) . ?
P3 F5 1.6029(14) . ?
P3 F6 1.5967(14) . ?
