#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:00:32 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179088 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/50/4305053.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_4305053
loop_
_publ_author_name
'Ricardo Cerón-Camacho'
'David Morales-Morales'
'Simon Hernández'
'Ronan Le Lagadec'
'Alexander D. Ryabov'
_publ_contact_author_address
;     Instituto de Química
      Universidad Nacional Autónoma de México
      Circuito Exterior, CU
      México, D.F. 04510
      México
;
_publ_contact_author_email       simonho@servidor.unam.mx
_publ_contact_author_fax         '+(5255) 56162215'
_publ_contact_author_name        'Hernández-Ortega, Simon'
_publ_contact_author_phone       '+(5255) 56162203'
_publ_section_title
;
Easy Access to Bio-Inspired Osmium(II) Complexes through Electrophilic
Intramolecular C(sp2)-H Bond Cyclometalation
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4988
_journal_page_last               4995
_journal_paper_doi               10.1021/ic800251t
_journal_volume                  47
_journal_year                    2008
_chemical_formula_moiety         'C25 H26 N5 Os, F6 P'
_chemical_formula_sum            'C25 H26 F6 N5 Os P'
_chemical_formula_weight         731.68
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           9
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 96.271(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.2693(7)
_cell_length_b                   12.4643(8)
_cell_length_c                   18.8585(12)
_cell_measurement_reflns_used    6453
_cell_measurement_temperature    291(2)
_cell_measurement_theta_max      30.88
_cell_measurement_theta_min      2.44
_cell_volume                     2633.1(3)
_computing_cell_refinement       'SMART V 5.625 (Bruker, 1999)'
_computing_data_collection       'SMART V 5.625 (Bruker, 1999)'
_computing_data_reduction        'SAINT V 7.34A (Bruker, 2006)'
_computing_molecular_graphics    'SHELXTL V 6.14 (Sheldrick, 2006)'
_computing_publication_material  'SHELXTL V 6.14 (Sheldrick, 2006)'
_computing_structure_refinement  'SHELXTL V 6.14 (Sheldrick, 2006)'
_computing_structure_solution    'SHELXTL V 6.14 (Sheldrick, 2006)'
_diffrn_ambient_temperature      291(2)
_diffrn_detector_area_resol_mean 0.65
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'omega scans'
_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  0.0403
_diffrn_reflns_av_sigmaI/netI    0.0552
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            10529
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.17
_exptl_absorpt_coefficient_mu    4.971
_exptl_absorpt_correction_T_max  0.7327
_exptl_absorpt_correction_T_min  0.4402
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   'SHELXTL V 6.14 (Sheldrick, 2006)'
_exptl_crystal_colour            Black
_exptl_crystal_density_diffrn    1.846
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             1424
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.07
_refine_diff_density_max         0.764
_refine_diff_density_min         -0.395
_refine_diff_density_rms         0.077
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.033(12)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.880
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     402
_refine_ls_number_reflns         4597
_refine_ls_number_restraints     337
_refine_ls_restrained_S_all      0.976
_refine_ls_R_factor_all          0.0356
_refine_ls_R_factor_gt           0.0278
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0178P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0518
_refine_ls_wR_factor_ref         0.0534
_reflns_number_gt                3622
_reflns_number_total             4597
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic800251t-file002_3.cif
_cod_data_source_block           COMPOUND_6B
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'Analytical' changed
to 'analytical' according to
'/home/saulius/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 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'No' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      'C c'
_cod_database_code               4305053
#BEGIN Tags that were not found in dictionaries:
_solved_by                       'Simon Hernandez-Ortega'
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'x, -y, z+1/2'
'x+1/2, y+1/2, z'
'x+1/2, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Os Os 0.50025(12) 0.50507(2) 0.75090(8) 0.03545(8) Uani 1 1 d . . .
N1 N 0.5679(12) 0.5114(6) 0.6540(7) 0.040(3) Uani 1 1 d . . .
C2 C 0.6251(7) 0.4325(7) 0.6227(5) 0.050(2) Uani 1 1 d . . .
H2 H 0.6342 0.3662 0.6452 0.060 Uiso 1 1 calc R . .
C3 C 0.6714(9) 0.4470(9) 0.5575(5) 0.061(3) Uani 1 1 d . . .
H3 H 0.7075 0.3901 0.5362 0.073 Uiso 1 1 calc R . .
C4 C 0.6632(11) 0.5459(11) 0.5251(6) 0.056(3) Uani 1 1 d . . .
H4 H 0.6951 0.5565 0.4822 0.067 Uiso 1 1 calc R . .
C5 C 0.6075(7) 0.6292(7) 0.5562(4) 0.053(2) Uani 1 1 d . . .
C6 C 0.5905(8) 0.7343(8) 0.5246(5) 0.063(3) Uani 1 1 d . . .
H6 H 0.6229 0.7497 0.4825 0.075 Uiso 1 1 calc R . .
C7 C 0.5311(10) 0.8069(9) 0.5541(5) 0.073(4) Uani 1 1 d . . .
H7 H 0.5150 0.8709 0.5296 0.088 Uiso 1 1 calc R . .
C8 C 0.4876(8) 0.7945(7) 0.6235(5) 0.054(2) Uani 1 1 d . . .
C9 C 0.4318(8) 0.8707(7) 0.6603(6) 0.059(3) Uani 1 1 d . . .
H9 H 0.4207 0.9396 0.6419 0.071 Uiso 1 1 calc R . .
C10 C 0.3930(8) 0.8458(7) 0.7231(5) 0.059(3) Uani 1 1 d . . .
H10 H 0.3539 0.8973 0.7477 0.071 Uiso 1 1 calc R . .
C11 C 0.4110(7) 0.7435(6) 0.7517(5) 0.052(2) Uani 1 1 d . . .
H11 H 0.3829 0.7282 0.7952 0.063 Uiso 1 1 calc R . .
N12 N 0.4666(6) 0.6670(5) 0.7194(4) 0.0409(18) Uani 1 1 d . . .
C13 C 0.5049(6) 0.6926(6) 0.6554(4) 0.0388(18) Uani 1 1 d . . .
C14 C 0.5623(7) 0.6095(7) 0.6208(4) 0.0412(19) Uani 1 1 d . . .
C15 C 0.4541(8) 0.2789(7) 0.7212(5) 0.043(2) Uani 1 1 d . . .
C16 C 0.5321(7) 0.3440(7) 0.7658(5) 0.036(2) Uani 1 1 d . . .
C17 C 0.6116(8) 0.2901(7) 0.8151(5) 0.045(2) Uani 1 1 d . . .
H17 H 0.6631 0.3304 0.8465 0.054 Uiso 1 1 calc R . .
C18 C 0.6177(9) 0.1791(8) 0.8195(5) 0.057(2) Uani 1 1 d . . .
H18 H 0.6737 0.1465 0.8525 0.068 Uiso 1 1 calc R . .
C19 C 0.5402(10) 0.1175(8) 0.7749(6) 0.066(3) Uani 1 1 d . . .
H19 H 0.5425 0.0431 0.7785 0.079 Uiso 1 1 calc R . .
C20 C 0.4579(10) 0.1670(7) 0.7239(6) 0.061(3) Uani 1 1 d . . .
H20 H 0.4069 0.1261 0.6926 0.073 Uiso 1 1 calc R . .
C21 C 0.3669(8) 0.3360(6) 0.6672(5) 0.044(2) Uani 1 1 d . . .
H21A H 0.4037 0.3511 0.6241 0.053 Uiso 1 1 calc R . .
H21B H 0.2967 0.2920 0.6548 0.053 Uiso 1 1 calc R . .
C22 C 0.2514(7) 0.4097(6) 0.7539(4) 0.048(2) Uani 1 1 d . . .
H22A H 0.2292 0.4736 0.7776 0.071 Uiso 1 1 calc R . .
H22B H 0.2898 0.3607 0.7883 0.071 Uiso 1 1 calc R . .
H22C H 0.1813 0.3766 0.7298 0.071 Uiso 1 1 calc R . .
C23 C 0.2696(7) 0.5060(6) 0.6467(4) 0.053(2) Uani 1 1 d . . .
H23A H 0.2041 0.4666 0.6224 0.080 Uiso 1 1 calc R . .
H23B H 0.3229 0.5279 0.6130 0.080 Uiso 1 1 calc R . .
H23C H 0.2396 0.5683 0.6688 0.080 Uiso 1 1 calc R . .
N2 N 0.4337(12) 0.5144(6) 0.8438(7) 0.042(3) Uani 1 1 d . . .
N3 N 0.3340(6) 0.4376(5) 0.7016(4) 0.0399(17) Uani 1 1 d . . .
C24 C 0.4019(8) 0.5212(7) 0.8977(5) 0.052(2) Uani 1 1 d . . .
C25 C 0.3521(13) 0.5286(11) 0.9668(7) 0.077(5) Uani 1 1 d . . .
H25A H 0.3341 0.6021 0.9764 0.115 Uiso 1 1 calc R . .
H25B H 0.4094 0.5019 1.0040 0.115 Uiso 1 1 calc R . .
H25C H 0.2804 0.4866 0.9650 0.115 Uiso 1 1 calc R . .
N4 N 0.6530(6) 0.5588(5) 0.8032(4) 0.0382(17) Uani 1 1 d . . .
C26 C 0.7285(7) 0.5962(7) 0.8383(5) 0.048(2) Uani 1 1 d . . .
C27 C 0.8242(7) 0.6481(8) 0.8879(5) 0.061(3) Uani 1 1 d . . .
H27A H 0.7889 0.6831 0.9258 0.092 Uiso 1 1 calc R . .
H27B H 0.8657 0.7000 0.8622 0.092 Uiso 1 1 calc R . .
H27C H 0.8794 0.5944 0.9076 0.092 Uiso 1 1 calc R . .
P P 0.0214(3) 0.3489(3) 0.9670(2) 0.0878(9) Uani 1 1 d DU . .
F1 F -0.1019(11) 0.3293(12) 0.9290(8) 0.116(3) Uani 0.535(7) 1 d PDU A 1
F2 F 0.0602(13) 0.4422(11) 0.9225(7) 0.123(3) Uani 0.535(7) 1 d PDU A 1
F3 F -0.0325(13) 0.4300(10) 1.0191(7) 0.120(3) Uani 0.535(7) 1 d PDU A 1
F4 F 0.1482(12) 0.3579(12) 1.0092(10) 0.131(3) Uani 0.535(7) 1 d PDU A 1
F5 F -0.0122(16) 0.2553(9) 1.0190(7) 0.115(3) Uani 0.535(7) 1 d PDU A 1
F6 F 0.0630(14) 0.2663(11) 0.9149(8) 0.116(3) Uani 0.535(7) 1 d PDU A 1
F1A F 0.1422(13) 0.3149(14) 1.0124(11) 0.129(3) Uani 0.465(7) 1 d PDU A 2
F2A F 0.0979(13) 0.3660(13) 0.9006(7) 0.117(3) Uani 0.465(7) 1 d PDU A 2
F3A F 0.0541(15) 0.4643(9) 0.9890(10) 0.122(3) Uani 0.465(7) 1 d PDU A 2
F4A F -0.0873(13) 0.3827(13) 0.9162(9) 0.115(3) Uani 0.465(7) 1 d PDU A 2
F5A F -0.0422(15) 0.3178(14) 1.0302(7) 0.122(3) Uani 0.465(7) 1 d PDU A 2
F6A F 0.0304(16) 0.2285(8) 0.9425(8) 0.106(3) Uani 0.465(7) 1 d PDU A 2
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'
N N 0.0061 0.0033 '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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Os Os -1.2165 7.6030 '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
N2 Os N4 86.2(4) . . ?
N2 Os C16 90.8(4) . . ?
N4 Os C16 97.6(3) . . ?
N2 Os N1 174.4(2) . . ?
N4 Os N1 92.5(4) . . ?
C16 Os N1 94.7(3) . . ?
N2 Os N12 96.8(3) . . ?
N4 Os N12 86.4(3) . . ?
C16 Os N12 171.7(4) . . ?
N1 Os N12 77.8(3) . . ?
N2 Os N3 90.5(4) . . ?
N4 Os N3 175.2(3) . . ?
C16 Os N3 79.0(3) . . ?
N1 Os N3 91.2(4) . . ?
N12 Os N3 97.4(3) . . ?
C2 N1 C14 116.7(12) . . ?
C2 N1 Os 127.1(7) . . ?
C14 N1 Os 115.9(7) . . ?
N1 C2 C3 122.3(10) . . ?
N1 C2 H2 118.9 . . ?
C3 C2 H2 118.9 . . ?
C4 C3 C2 119.6(10) . . ?
C4 C3 H3 120.2 . . ?
C2 C3 H3 120.2 . . ?
C3 C4 C5 119.9(10) . . ?
C3 C4 H4 120.0 . . ?
C5 C4 H4 120.0 . . ?
C4 C5 C14 117.8(9) . . ?
C4 C5 C6 123.7(9) . . ?
C14 C5 C6 118.4(8) . . ?
C7 C6 C5 120.8(10) . . ?
C7 C6 H6 119.6 . . ?
C5 C6 H6 119.6 . . ?
C6 C7 C8 123.7(11) . . ?
C6 C7 H7 118.1 . . ?
C8 C7 H7 118.1 . . ?
C9 C8 C13 117.3(9) . . ?
C9 C8 C7 126.9(10) . . ?
C13 C8 C7 115.7(9) . . ?
C10 C9 C8 119.9(9) . . ?
C10 C9 H9 120.1 . . ?
C8 C9 H9 120.1 . . ?
C9 C10 C11 120.5(9) . . ?
C9 C10 H10 119.8 . . ?
C11 C10 H10 119.8 . . ?
N12 C11 C10 122.5(9) . . ?
N12 C11 H11 118.7 . . ?
C10 C11 H11 118.7 . . ?
C11 N12 C13 116.7(7) . . ?
C11 N12 Os 129.3(6) . . ?
C13 N12 Os 113.9(5) . . ?
N12 C13 C8 123.0(8) . . ?
N12 C13 C14 116.2(7) . . ?
C8 C13 C14 120.8(8) . . ?
N1 C14 C5 123.6(9) . . ?
N1 C14 C13 116.2(8) . . ?
C5 C14 C13 120.2(8) . . ?
C20 C15 C16 122.7(9) . . ?
C20 C15 C21 120.7(9) . . ?
C16 C15 C21 116.6(7) . . ?
C17 C16 C15 115.8(8) . . ?
C17 C16 Os 130.8(7) . . ?
C15 C16 Os 113.2(5) . . ?
C18 C17 C16 123.1(9) . . ?
C18 C17 H17 118.5 . . ?
C16 C17 H17 118.5 . . ?
C19 C18 C17 119.7(9) . . ?
C19 C18 H18 120.2 . . ?
C17 C18 H18 120.2 . . ?
C18 C19 C20 120.0(8) . . ?
C18 C19 H19 120.0 . . ?
C20 C19 H19 120.0 . . ?
C15 C20 C19 118.7(9) . . ?
C15 C20 H20 120.7 . . ?
C19 C20 H20 120.7 . . ?
N3 C21 C15 106.3(6) . . ?
N3 C21 H21A 110.5 . . ?
C15 C21 H21A 110.5 . . ?
N3 C21 H21B 110.5 . . ?
C15 C21 H21B 110.5 . . ?
H21A C21 H21B 108.7 . . ?
N3 C22 H22A 109.5 . . ?
N3 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
N3 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
N3 C23 H23A 109.5 . . ?
N3 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
N3 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C24 N2 Os 176.4(12) . . ?
C22 N3 C23 108.0(6) . . ?
C22 N3 C21 107.3(6) . . ?
C23 N3 C21 108.3(7) . . ?
C22 N3 Os 112.6(5) . . ?
C23 N3 Os 114.5(5) . . ?
C21 N3 Os 105.8(5) . . ?
N2 C24 C25 176.4(12) . . ?
C24 C25 H25A 109.5 . . ?
C24 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C24 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C26 N4 Os 170.3(7) . . ?
N4 C26 C27 176.7(9) . . ?
C26 C27 H27A 109.5 . . ?
C26 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C26 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
F1 P F2 99.5(8) . . ?
F1 P F3 90.1(8) . . ?
F1 P F4 174.5(8) . . ?
F1 P F6 85.3(9) . . ?
F1 P F5 84.6(8) . . ?
F2 P F5 175.2(9) . . ?
F2 P F4 85.6(8) . . ?
F2 P F6 91.9(8) . . ?
F2 P F3 90.4(7) . . ?
F3 P F5 87.2(7) . . ?
F4 P F3 91.7(9) . . ?
F4 P F5 90.3(9) . . ?
F6 P F3 175.1(8) . . ?
F6 P F4 92.7(9) . . ?
F6 P F5 90.7(7) . . ?
F5A P F6A 92.2(8) . . ?
F4A P F6A 98.7(9) . . ?
F3A P F6A 162.3(9) . . ?
F5A P F4A 98.5(9) . . ?
F5A P F3A 98.5(9) . . ?
F4A P F3A 93.6(8) . . ?
F5A P F1A 87.6(10) . . ?
F4A P F1A 173.8(11) . . ?
F3A P F1A 86.4(8) . . ?
F6A P F1A 79.9(9) . . ?
F5A P F2A 172.1(9) . . ?
F4A P F2A 86.4(9) . . ?
F3A P F2A 87.4(8) . . ?
F6A P F2A 80.9(7) . . ?
F1A P F2A 87.4(10) . . ?
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
Os N2 1.984(14) . ?
Os N4 2.003(7) . ?
Os C16 2.053(8) . ?
Os N1 2.056(14) . ?
Os N12 2.126(6) . ?
Os N3 2.168(7) . ?
N1 C2 1.347(13) . ?
N1 C14 1.373(11) . ?
C2 C3 1.398(11) . ?
C2 H2 0.9300 . ?
C3 C4 1.374(17) . ?
C3 H3 0.9300 . ?
C4 C5 1.377(15) . ?
C4 H4 0.9300 . ?
C5 C14 1.392(10) . ?
C5 C6 1.443(13) . ?
C6 C7 1.288(14) . ?
C6 H6 0.9300 . ?
C7 C8 1.456(13) . ?
C7 H7 0.9300 . ?
C8 C9 1.369(12) . ?
C8 C13 1.410(11) . ?
C9 C10 1.342(13) . ?
C9 H9 0.9300 . ?
C10 C11 1.390(12) . ?
C10 H10 0.9300 . ?
C11 N12 1.326(10) . ?
C11 H11 0.9300 . ?
N12 C13 1.364(10) . ?
C13 C14 1.417(11) . ?
C15 C20 1.396(12) . ?
C15 C16 1.407(11) . ?
C15 C21 1.513(11) . ?
C16 C17 1.392(11) . ?
C17 C18 1.387(12) . ?
C17 H17 0.9300 . ?
C18 C19 1.379(13) . ?
C18 H18 0.9300 . ?
C19 C20 1.404(11) . ?
C19 H19 0.9300 . ?
C20 H20 0.9300 . ?
C21 N3 1.489(10) . ?
C21 H21A 0.9700 . ?
C21 H21B 0.9700 . ?
C22 N3 1.470(10) . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C23 N3 1.471(9) . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
N2 C24 1.118(16) . ?
C24 C25 1.476(16) . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
N4 C26 1.121(9) . ?
C26 C27 1.495(11) . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 0.9600 . ?
P F5A 1.507(11) . ?
P F1 1.512(10) . ?
P F2 1.525(10) . ?
P F4A 1.530(10) . ?
P F3A 1.531(10) . ?
P F6 1.532(10) . ?
P F4 1.561(10) . ?
P F6A 1.577(10) . ?
P F3 1.577(9) . ?
P F1A 1.584(11) . ?
P F5 1.596(10) . ?
P F2A 1.610(10) . ?
