#------------------------------------------------------------------------------
#$Date: 2016-03-25 11:26:16 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179790 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/86/7008648.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_7008648
loop_
_publ_author_name
'Braga, Dario'
'Polito, Marco'
'Giaffreda, Stefano L.'
'Grepioni, Fabrizia'
_publ_section_title
;
 Novel organometallic building blocks for molecular crystal
 engineering. Part 4. Synthesis and characterization of mono- and
 bis-amido derivatives of [Co(III)(eta5-C5H4COOH)2]+ and their
 utilization as ligands.
;
_journal_issue                   16
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2766
_journal_page_last               2773
_journal_paper_doi               10.1039/b505521k
_journal_year                    2005
_chemical_formula_sum            'C24 H20 Co F6 N6 O4 P'
_chemical_formula_weight         660.36
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_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
_audit_creation_method           SHELXL-97
_cell_angle_alpha                105.7620(10)
_cell_angle_beta                 90.1450(10)
_cell_angle_gamma                101.5180(10)
_cell_formula_units_Z            2
_cell_length_a                   7.7355(2)
_cell_length_b                   13.1359(4)
_cell_length_c                   13.5350(4)
_cell_measurement_temperature    293(2)
_cell_volume                     1294.61(6)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_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  0.0511
_diffrn_reflns_av_sigmaI/netI    0.0464
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            10464
_diffrn_reflns_theta_full        25.04
_diffrn_reflns_theta_max         25.04
_diffrn_reflns_theta_min         1.57
_exptl_absorpt_coefficient_mu    0.813
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.846
_exptl_absorpt_correction_type   psi-scan
_exptl_crystal_density_diffrn    1.694
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             668
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.769
_refine_diff_density_min         -0.451
_refine_diff_density_rms         0.085
_refine_ls_extinction_coef       0.0000(14)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.985
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     366
_refine_ls_number_reflns         4557
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.985
_refine_ls_R_factor_all          0.0606
_refine_ls_R_factor_gt           0.0498
_refine_ls_shift/su_max          0.008
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0994P)²+0.3259P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1357
_refine_ls_wR_factor_ref         0.1454
_reflns_number_gt                3719
_reflns_number_total             4557
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b505521k.txt
_cod_data_source_block           5_[Co(C5H4-CONHC2N3(C5H4N)2)(C5H4-COOH)]+[PF6]-
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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 'Psi-scan' changed to
'psi-scan' 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 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7008648
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
Co1 Co 0.45384(6) 0.71323(3) 0.41430(3) 0.03302(18) Uani 1 1 d . . .
C1 C 0.5454(2) 0.85366(19) 0.37820(17) 0.0425(8) Uani 1 1 d G . .
H1 H 0.6588 0.8768 0.3593 0.051 Uiso 1 1 calc R . .
C2 C 0.4880(3) 0.87518(19) 0.47998(14) 0.0520(10) Uani 1 1 d G . .
H2 H 0.5572 0.9149 0.5394 0.062 Uiso 1 1 calc R . .
C3 C 0.3063(3) 0.8254(2) 0.47504(14) 0.0508(10) Uani 1 1 d G . .
H3 H 0.2356 0.8268 0.5307 0.061 Uiso 1 1 calc R . .
C4 C 0.2514(2) 0.77312(19) 0.37021(16) 0.0396(8) Uani 1 1 d G . .
H4 H 0.1384 0.7343 0.3452 0.048 Uiso 1 1 calc R . .
C5 C 0.3991(3) 0.79059(19) 0.31036(12) 0.0330(7) Uani 1 1 d G . .
C6 C 0.4134(4) 0.7471(2) 0.1975(2) 0.0310(7) Uani 1 1 d . . .
C7 C 0.2589(4) 0.5379(2) 0.0116(2) 0.0315(7) Uani 1 1 d . . .
C8 C 0.2990(4) 0.6820(3) -0.0442(2) 0.0322(7) Uani 1 1 d . . .
C9 C 0.3044(4) 0.7916(3) -0.0527(2) 0.0345(7) Uani 1 1 d . . .
C10 C 0.2311(5) 0.8667(3) 0.0154(3) 0.0450(8) Uani 1 1 d . . .
H10 H 0.1800 0.8511 0.0731 0.054 Uiso 1 1 calc R . .
C11 C 0.2335(6) 0.9661(3) -0.0024(3) 0.0535(10) Uani 1 1 d . . .
H11 H 0.1824 1.0175 0.0424 0.064 Uiso 1 1 calc R . .
C12 C 0.3133(6) 0.9872(3) -0.0877(3) 0.0556(10) Uani 1 1 d . . .
H12 H 0.3203 1.0538 -0.1009 0.067 Uiso 1 1 calc R . .
C13 C 0.3820(6) 0.9074(3) -0.1525(3) 0.0547(10) Uani 1 1 d . . .
H13 H 0.4333 0.9211 -0.2109 0.066 Uiso 1 1 calc R . .
C14 C 0.2114(4) 0.4631(2) 0.0759(2) 0.0312(7) Uani 1 1 d . . .
C15 C 0.2626(5) 0.3653(3) 0.0526(3) 0.0438(8) Uani 1 1 d . . .
H15 H 0.3312 0.3451 -0.0028 0.053 Uiso 1 1 calc R . .
C16 C 0.2087(6) 0.2976(3) 0.1145(3) 0.0541(10) Uani 1 1 d . . .
H16 H 0.2433 0.2316 0.1020 0.065 Uiso 1 1 calc R . .
C17 C 0.1043(5) 0.3285(3) 0.1940(3) 0.0511(9) Uani 1 1 d . . .
H17 H 0.0656 0.2839 0.2359 0.061 Uiso 1 1 calc R . .
C18 C 0.0586(5) 0.4272(3) 0.2102(3) 0.0458(9) Uani 1 1 d . . .
H18 H -0.0137 0.4475 0.2637 0.055 Uiso 1 1 calc R . .
C19 C 0.6269(3) 0.6620(2) 0.49338(17) 0.0447(8) Uani 1 1 d G . .
H19 H 0.7149 0.7058 0.5422 0.054 Uiso 1 1 calc R . .
C20 C 0.6462(3) 0.6236(2) 0.38614(18) 0.0525(10) Uani 1 1 d G . .
H20 H 0.7489 0.6378 0.3524 0.063 Uiso 1 1 calc R . .
C21 C 0.4809(4) 0.5596(2) 0.33955(13) 0.0545(11) Uani 1 1 d G . .
H21 H 0.4565 0.5246 0.2699 0.065 Uiso 1 1 calc R . .
C22 C 0.3596(3) 0.55844(19) 0.41799(18) 0.0484(9) Uani 1 1 d G . .
H22 H 0.2417 0.5225 0.4087 0.058 Uiso 1 1 calc R . .
C23 C 0.4498(3) 0.6217(2) 0.51306(14) 0.0410(8) Uani 1 1 d G . .
C24 C 0.3675(6) 0.6476(3) 0.6143(3) 0.0485(9) Uani 1 1 d . . .
N1 N 0.2570(4) 0.7081(2) 0.14222(19) 0.0316(6) Uani 1 1 d . . .
H100 H 0.165(4) 0.700(2) 0.166(2) 0.022(8) Uiso 1 1 d . . .
N2 N 0.2586(3) 0.6460(2) 0.04122(18) 0.0307(6) Uani 1 1 d . . .
N3 N 0.2956(4) 0.5095(2) -0.0851(2) 0.0368(6) Uani 1 1 d . . .
N4 N 0.3214(4) 0.6006(2) -0.1205(2) 0.0374(6) Uani 1 1 d . . .
N5 N 0.3799(4) 0.8111(2) -0.1371(2) 0.0431(7) Uani 1 1 d . . .
N6 N 0.1111(4) 0.4957(2) 0.1543(2) 0.0408(7) Uani 1 1 d . . .
O1 O 0.5548(3) 0.7493(2) 0.15912(18) 0.0477(6) Uani 1 1 d . . .
O2 O 0.4864(4) 0.6973(2) 0.68939(19) 0.0598(7) Uani 1 1 d . . .
H200 H 0.4468 0.7358 0.7629 0.050 Uiso 1 1 d . . .
O3 O 0.2123(5) 0.6237(3) 0.6215(2) 0.0786(10) Uani 1 1 d . . .
P1 P 0.05355(14) 0.01912(8) 0.30621(8) 0.0502(3) Uani 1 1 d . . .
F1 F -0.0225(5) -0.0745(3) 0.2048(2) 0.1005(10) Uani 1 1 d . . .
F2 F 0.0944(6) 0.0948(3) 0.2360(4) 0.1321(16) Uani 1 1 d . . .
F3 F 0.0005(5) -0.0674(3) 0.3688(3) 0.1119(12) Uani 1 1 d . . .
F4 F -0.1396(4) 0.0438(3) 0.3208(2) 0.0957(10) Uani 1 1 d . . .
F5 F 0.1183(6) 0.1063(4) 0.4086(3) 0.1474(18) Uani 1 1 d . . .
F6 F 0.2388(4) -0.0139(3) 0.2898(3) 0.1135(12) Uani 1 1 d . . .
O100 O -0.0882(3) 0.69225(19) 0.2080(2) 0.0470(6) Uani 1 1 d . . .
H101 H -0.1618 0.6352 0.1777 0.050 Uiso 1 1 d . . .
H102 H -0.1351 0.7445 0.2034 0.050 Uiso 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'
Co Co 0.3494 0.9721 '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'
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
C23 Co1 C1 149.74(9) . . ?
C23 Co1 C2 115.71(8) . . ?
C1 Co1 C2 40.9 . . ?
C23 Co1 C19 41.0 . . ?
C1 Co1 C19 116.51(9) . . ?
C2 Co1 C19 105.72(9) . . ?
C23 Co1 C5 167.19(10) . . ?
C1 Co1 C5 40.9 . . ?
C2 Co1 C5 68.80(5) . . ?
C19 Co1 C5 151.42(9) . . ?
C23 Co1 C22 41.0 . . ?
C1 Co1 C22 167.94(9) . . ?
C2 Co1 C22 150.40(10) . . ?
C19 Co1 C22 68.81(5) . . ?
C5 Co1 C22 129.78(9) . . ?
C23 Co1 C3 106.38(8) . . ?
C1 Co1 C3 68.74(5) . . ?
C2 Co1 C3 40.8 . . ?
C19 Co1 C3 126.43(9) . . ?
C5 Co1 C3 68.63(5) . . ?
C22 Co1 C3 117.81(10) . . ?
C23 Co1 C4 127.97(9) . . ?
C1 Co1 C4 68.73(5) . . ?
C2 Co1 C4 68.64(5) . . ?
C19 Co1 C4 165.34(9) . . ?
C5 Co1 C4 40.8 . . ?
C22 Co1 C4 108.98(9) . . ?
C3 Co1 C4 40.7 . . ?
C23 Co1 C20 68.67(5) . . ?
C1 Co1 C20 107.89(9) . . ?
C2 Co1 C20 127.19(11) . . ?
C19 Co1 C20 40.7 . . ?
C5 Co1 C20 119.16(8) . . ?
C22 Co1 C20 68.49(5) . . ?
C3 Co1 C20 164.89(11) . . ?
C4 Co1 C20 153.27(10) . . ?
C23 Co1 C21 68.69(5) . . ?
C1 Co1 C21 129.26(10) . . ?
C2 Co1 C21 166.27(11) . . ?
C19 Co1 C21 68.48(5) . . ?
C5 Co1 C21 109.94(8) . . ?
C22 Co1 C21 40.7 . . ?
C3 Co1 C21 152.57(11) . . ?
C4 Co1 C21 119.97(10) . . ?
C20 Co1 C21 40.5 . . ?
C2 C1 C5 108.0 . . ?
C2 C1 Co1 69.71(9) . . ?
C5 C1 Co1 69.76(9) . . ?
C2 C1 H1 126.0 . . ?
C5 C1 H1 126.0 . . ?
Co1 C1 H1 126.1 . . ?
C3 C2 C1 108.0 . . ?
C3 C2 Co1 69.93(9) . . ?
C1 C2 Co1 69.35(9) . . ?
C3 C2 H2 126.0 . . ?
C1 C2 H2 126.0 . . ?
Co1 C2 H2 126.3 . . ?
C2 C3 C4 108.0 . . ?
C2 C3 Co1 69.27(9) . . ?
C4 C3 Co1 69.68(8) . . ?
C2 C3 H3 126.0 . . ?
C4 C3 H3 126.0 . . ?
Co1 C3 H3 126.6 . . ?
C5 C4 C3 108.0 . . ?
C5 C4 Co1 69.30(9) . . ?
C3 C4 Co1 69.63(9) . . ?
C5 C4 H4 126.0 . . ?
C3 C4 H4 126.0 . . ?
Co1 C4 H4 126.6 . . ?
C4 C5 C1 108.0 . . ?
C4 C5 C6 129.00(19) . . ?
C1 C5 C6 122.87(19) . . ?
C4 C5 Co1 69.93(9) . . ?
C1 C5 Co1 69.32(9) . . ?
C6 C5 Co1 123.04(17) . . ?
O1 C6 N1 123.2(3) . . ?
O1 C6 C5 122.1(3) . . ?
N1 C6 C5 114.7(2) . . ?
N3 C7 N2 109.3(3) . . ?
N3 C7 C14 125.1(3) . . ?
N2 C7 C14 125.4(3) . . ?
N4 C8 N2 109.1(3) . . ?
N4 C8 C9 124.4(3) . . ?
N2 C8 C9 126.4(3) . . ?
N5 C9 C10 122.0(3) . . ?
N5 C9 C8 114.2(3) . . ?
C10 C9 C8 123.7(3) . . ?
C9 C10 C11 119.6(3) . . ?
C9 C10 H10 120.2 . . ?
C11 C10 H10 120.2 . . ?
C12 C11 C10 118.6(4) . . ?
C12 C11 H11 120.7 . . ?
C10 C11 H11 120.7 . . ?
C13 C12 C11 118.1(4) . . ?
C13 C12 H12 120.9 . . ?
C11 C12 H12 120.9 . . ?
N5 C13 C12 124.1(4) . . ?
N5 C13 H13 118.0 . . ?
C12 C13 H13 118.0 . . ?
N6 C14 C15 123.5(3) . . ?
N6 C14 C7 115.4(3) . . ?
C15 C14 C7 121.0(3) . . ?
C14 C15 C16 117.9(3) . . ?
C14 C15 H15 121.1 . . ?
C16 C15 H15 121.1 . . ?
C17 C16 C15 119.7(3) . . ?
C17 C16 H16 120.2 . . ?
C15 C16 H16 120.2 . . ?
C16 C17 C18 118.1(3) . . ?
C16 C17 H17 121.0 . . ?
C18 C17 H17 121.0 . . ?
N6 C18 C17 124.2(4) . . ?
N6 C18 H18 117.9 . . ?
C17 C18 H18 117.9 . . ?
C20 C19 C23 108.0 . . ?
C20 C19 Co1 70.28(9) . . ?
C23 C19 Co1 69.09(9) . . ?
C20 C19 H19 126.0 . . ?
C23 C19 H19 126.0 . . ?
Co1 C19 H19 126.2 . . ?
C19 C20 C21 108.0 . . ?
C19 C20 Co1 69.03(9) . . ?
C21 C20 Co1 69.71(9) . . ?
C19 C20 H20 126.0 . . ?
C21 C20 H20 126.0 . . ?
Co1 C20 H20 126.8 . . ?
C22 C21 C20 108.0 . . ?
C22 C21 Co1 69.00(9) . . ?
C20 C21 Co1 69.76(9) . . ?
C22 C21 H21 126.0 . . ?
C20 C21 H21 126.0 . . ?
Co1 C21 H21 126.8 . . ?
C21 C22 C23 108.0 . . ?
C21 C22 Co1 70.29(9) . . ?
C23 C22 Co1 69.13(9) . . ?
C21 C22 H22 126.0 . . ?
C23 C22 H22 126.0 . . ?
Co1 C22 H22 126.2 . . ?
C22 C23 C19 108.0 . . ?
C22 C23 C24 125.4(2) . . ?
C19 C23 C24 126.4(2) . . ?
C22 C23 Co1 69.88(9) . . ?
C19 C23 Co1 69.93(9) . . ?
C24 C23 Co1 122.3(2) . . ?
O3 C24 O2 126.5(4) . . ?
O3 C24 C23 122.1(4) . . ?
O2 C24 C23 111.4(3) . . ?
C6 N1 N2 117.6(3) . . ?
C6 N1 H100 124(2) . . ?
N2 N1 H100 115(2) . . ?
C7 N2 C8 105.8(2) . . ?
C7 N2 N1 125.2(2) . . ?
C8 N2 N1 127.6(3) . . ?
C7 N3 N4 108.0(2) . . ?
C8 N4 N3 107.7(2) . . ?
C13 N5 C9 117.6(3) . . ?
C18 N6 C14 116.7(3) . . ?
C24 O2 H200 119.8 . . ?
F2 P1 F5 96.5(3) . . ?
F2 P1 F6 91.7(2) . . ?
F5 P1 F6 93.4(2) . . ?
F2 P1 F3 174.3(3) . . ?
F5 P1 F3 89.1(3) . . ?
F6 P1 F3 89.2(2) . . ?
F2 P1 F1 86.7(2) . . ?
F5 P1 F1 176.2(2) . . ?
F6 P1 F1 88.5(2) . . ?
F3 P1 F1 87.7(2) . . ?
F2 P1 F4 90.8(2) . . ?
F5 P1 F4 89.4(2) . . ?
F6 P1 F4 176.0(2) . . ?
F3 P1 F4 87.96(19) . . ?
F1 P1 F4 88.60(18) . . ?
H101 O100 H102 105.7 . . ?
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
Co1 C23 2.023(2) . ?
Co1 C1 2.028(2) . ?
Co1 C2 2.033(2) . ?
Co1 C19 2.034(2) . ?
Co1 C5 2.034(2) . ?
Co1 C22 2.033(2) . ?
Co1 C3 2.042(2) . ?
Co1 C4 2.042(2) . ?
Co1 C20 2.050(2) . ?
Co1 C21 2.050(2) . ?
C1 C2 1.4200 . ?
C1 C5 1.4200 . ?
C1 H1 0.9300 . ?
C2 C3 1.4200 . ?
C2 H2 0.9300 . ?
C3 C4 1.4200 . ?
C3 H3 0.9300 . ?
C4 C5 1.4200 . ?
C4 H4 0.9300 . ?
C5 C6 1.491(3) . ?
C6 O1 1.210(4) . ?
C6 N1 1.351(4) . ?
C7 N3 1.307(4) . ?
C7 N2 1.366(4) . ?
C7 C14 1.477(4) . ?
C8 N4 1.309(4) . ?
C8 N2 1.378(4) . ?
C8 C9 1.467(5) . ?
C9 N5 1.346(4) . ?
C9 C10 1.370(5) . ?
C10 C11 1.387(5) . ?
C10 H10 0.9300 . ?
C11 C12 1.379(6) . ?
C11 H11 0.9300 . ?
C12 C13 1.370(6) . ?
C12 H12 0.9300 . ?
C13 N5 1.334(5) . ?
C13 H13 0.9300 . ?
C14 N6 1.343(4) . ?
C14 C15 1.375(5) . ?
C15 C16 1.386(5) . ?
C15 H15 0.9300 . ?
C16 C17 1.369(6) . ?
C16 H16 0.9300 . ?
C17 C18 1.372(5) . ?
C17 H17 0.9300 . ?
C18 N6 1.332(4) . ?
C18 H18 0.9300 . ?
C19 C20 1.4200 . ?
C19 C23 1.4200 . ?
C19 H19 0.9300 . ?
C20 C21 1.4200 . ?
C20 H20 0.9300 . ?
C21 C22 1.4200 . ?
C21 H21 0.9300 . ?
C22 C23 1.4200 . ?
C22 H22 0.9300 . ?
C23 C24 1.495(4) . ?
C24 O3 1.191(5) . ?
C24 O2 1.304(5) . ?
N1 N2 1.390(3) . ?
N1 H100 0.78(3) . ?
N3 N4 1.385(4) . ?
O2 H200 1.0629 . ?
P1 F2 1.542(3) . ?
P1 F5 1.545(4) . ?
P1 F6 1.577(3) . ?
P1 F3 1.586(3) . ?
P1 F1 1.591(3) . ?
P1 F4 1.593(3) . ?
O100 H101 0.8459 . ?
O100 H102 0.8539 . ?
