##############################################################################
###                                                                        ###
###        Electronic paper (Acta Crystallographica Section E)             ###
###                                                                        ###
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# This CIF contains the data in a paper accepted for publication in Acta     #
# Crystallographica Section E. It conforms to the requirements of Notes      #
# for Authors for Section E, and has been peer reviewed under the auspices   #
# of the IUCr Commission on Journals.                                        #
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#                                                                            #
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# Software is freely available for graphical display of the structure(s) in  #
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data_050701b
_audit_creation_method     SHELXL-97
_journal_date_recd_electronic     2005-09-05
_journal_date_accepted     2005-09-22
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2005
_journal_volume     61
_journal_issue     10
_journal_page_first     m2118
_journal_page_last     m2120
_journal_paper_category     EM
_journal_coeditor_code     RN6066
_publ_contact_author_name     'Prof. Z. X. Tang'
_publ_contact_author_address
; Department of Chemistry
  Shaanxi Key Laboratory of Physico-Inorganic Chemistry
  Northwest University
  Xi^'^an,  Shaanxi   710069
  People's Republic of China
;
_publ_contact_author_email     'tzxtq@163.com'
_publ_contact_author_fax     '?'
_publ_contact_author_phone     '0086 29 88307911'
_publ_section_title
;
Diaquabis(1,10-phenanthroline-κ²N,N')cadmium(II)
pentafluoride-oxide niobate
;
loop_
    _publ_author_name
    _publ_author_address
    'Zhu, Gang'
;
  Department of Chemistry
  Shaanxi Key Laboratory of Physico-Inorganic Chemistry
  Northwest University
  Xi'an, Shaanxi 710069
  People's Republic of China
;
    'Tang, Zongxun'
;
  Department of Chemistry
  Shaanxi Key Laboratory of Physico-Inorganic Chemistry
  Northwest University
  Xi'an, Shaanxi 710069
  People's Republic of China
;
data_I
_chemical_name_systematic
;
Diaquabis(1,10-phenanthroline-κ²N,N')cadmium(II) pentafluoride-oxide
niobate
;
_chemical_name_common     ?
_chemical_formula_sum     'C24 H20 Cd F5 N4 Nb O3'
_chemical_formula_iupac     '[Cd (C12 H8 N2 )2 (H2 O )2 ]2+ ,[Nb OF5 ] 2-'
_chemical_formula_weight     712.75
_chemical_melting_point     ?
_symmetry_cell_setting     Triclinic
_symmetry_space_group_name_H-M     P-1
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x, -y, -z'
_cell_length_a     9.487(4)
_cell_length_b     11.537(5)
_cell_length_c     13.007(5)
_cell_angle_alpha     99.162(6)
_cell_angle_beta     109.646(6)
_cell_angle_gamma     100.661(5)
_cell_volume     1279.3(9)
_cell_formula_units_Z     2
_cell_measurement_reflns_used     2883
_cell_measurement_theta_min     2.2
_cell_measurement_theta_max     27.203
_cell_measurement_temperature     298(2)
_exptl_crystal_description     block
_exptl_crystal_colour     colorless
_exptl_crystal_size_max     0.35
_exptl_crystal_size_mid     0.33
_exptl_crystal_size_min     0.29
_exptl_crystal_density_diffrn     1.850
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     700
_exptl_absorpt_coefficient_mu     1.349
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details     '(SADABS; Sheldrick, 2002)'
_exptl_absorpt_correction_T_min     0.6495
_exptl_absorpt_correction_T_max     0.6956
_exptl_special_details
;
 ?
;
_diffrn_ambient_temperature     298(2)
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_source     'fine-focus sealed tube'
_diffrn_radiation_monochromator     graphite
_diffrn_measurement_device_type     'Bruker SMART CCD area-detector'
_diffrn_measurement_method     'φ and w'
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     6750
_diffrn_reflns_av_R_equivalents     0.0162
_diffrn_reflns_av_sigmaI/netI     0.0371
_diffrn_reflns_theta_min     2.20
_diffrn_reflns_theta_max     25.00
_diffrn_reflns_theta_full     25.00
_diffrn_measured_fraction_theta_max     0.988
_diffrn_measured_fraction_theta_full     0.988
_diffrn_reflns_limit_h_min     -11
_diffrn_reflns_limit_h_max     11
_diffrn_reflns_limit_k_min     -13
_diffrn_reflns_limit_k_max     13
_diffrn_reflns_limit_l_min     -15
_diffrn_reflns_limit_l_max     12
_diffrn_standards_number     0
_diffrn_standards_interval_count     0
_diffrn_standards_interval_time     0
_diffrn_standards_decay_%     0
_refine_special_details
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR
and
   goodness of fit S are based on F², conventional R-factors R are
based
  on  F, with F set to zero for negative F². The threshold expression
of
  F²  > 2sigma(F²) is used only for calculating R-factors(gt) etc.
and
 is  not  relevant to the choice of reflections for refinement.
R-factors
 based  on  F² are statistically about twice as large as those based
on
 F, and R-   factors based on ALL data will be even larger.
;
_reflns_number_total     4464
_reflns_number_gt     3413
_reflns_threshold_expression     I>2σ(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0497
_refine_ls_R_factor_gt     0.0337
_refine_ls_wR_factor_gt     0.0805
_refine_ls_wR_factor_ref     0.0924
_refine_ls_goodness_of_fit_ref     1.004
_refine_ls_restrained_S_all     1.003
_refine_ls_number_reflns     4464
_refine_ls_number_parameters     355
_refine_ls_number_restraints     6
_refine_ls_hydrogen_treatment     mixed
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
         'calc w=1/[σ²(Fo²)+(0.0456P)²+1.0033P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary     difmap
_refine_ls_shift/su_max     0.001
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     0.503
_refine_diff_density_min     -0.791
_refine_ls_extinction_method     none
_refine_ls_extinction_coef     ?
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'
    'O' 'O' 0.0106 0.0060
                         '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'
    'Cd' 'Cd' -0.8075 1.2024
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Nb' 'Nb' -2.0727 0.6215
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection     'SMART (Bruker, 2002)'
_computing_cell_refinement     'SAINT (Bruker, 2002)'
_computing_data_reduction     'SAINT'
_computing_structure_solution     'SHELXS97 (Sheldrick, 1990)'
_computing_structure_refinement     'SHELXL97 (Sheldrick, 1997)'
_computing_molecular_graphics     'XP (Siemens, 1994)'
_computing_publication_material     'SHELXTL (Siemens, 1995)'
loop_
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    _atom_site_adp_type
    _atom_site_calc_flag
    _atom_site_refinement_flags
    _atom_site_occupancy
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    _atom_site_type_symbol
    Nb1 0.56044(5) 0.26190(4) 0.68194(4) 0.04562(14) Uani d . 1 . . Nb
    Cd1 0.48108(4) 0.22250(3) 0.26707(3) 0.04084(12) Uani d . 1 . . Cd
    F1 0.3689(3) 0.1749(3) 0.5529(3) 0.0645(8) Uani d . 1 . . F
    F2 0.6539(4) 0.2892(3) 0.5737(3) 0.0877(11) Uani d . 1 . . F
    F3 0.7403(4) 0.3686(3) 0.7989(3) 0.0948(13) Uani d . 1 . . F
    F4 0.4467(5) 0.2584(4) 0.7758(3) 0.0957(13) Uani d . 1 . . F
    F5 0.4931(4) 0.4141(3) 0.6460(3) 0.0840(11) Uani d . 1 . . F
    N1 0.7174(4) 0.1902(3) 0.3678(3) 0.0432(9) Uani d . 1 . . N
    N2 0.6781(4) 0.3698(3) 0.2523(3) 0.0459(9) Uani d . 1 . . N
    N3 0.2769(4) 0.2571(3) 0.1263(3) 0.0480(10) Uani d . 1 . . N
    N4 0.3873(5) 0.0544(3) 0.1105(3) 0.0444(9) Uani d . 1 . . N
    O1 0.3448(4) 0.0971(3) 0.3408(3) 0.0493(8) Uani d D 1 . . O
    O2 0.4641(5) 0.3733(3) 0.3952(3) 0.0556(9) Uani d D 1 . . O
    O3 0.6210(4) 0.1283(3) 0.7002(3) 0.0592(9) Uani d . 1 . . O
    C1 0.7350(6) 0.1069(4) 0.4266(5) 0.0564(14) Uani d . 1 . . C
    H1 0.6480 0.0482 0.4188 0.068 Uiso calc R 1 . . H
    C2 0.8802(6) 0.1041(5) 0.5003(5) 0.0639(15) Uani d . 1 . . C
    H2 0.8887 0.0456 0.5420 0.077 Uiso calc R 1 . . H
    C3 1.0069(6) 0.1863(5) 0.5104(5) 0.0648(15) Uani d . 1 . . C
    H3 1.1038 0.1838 0.5583 0.078 Uiso calc R 1 . . H
    C4 0.9938(5) 0.2763(5) 0.4488(5) 0.0531(13) Uani d . 1 . . C
    C5 0.8436(5) 0.2750(4) 0.3782(4) 0.0397(10) Uani d . 1 . . C
    C6 0.8245(5) 0.3694(4) 0.3180(4) 0.0420(11) Uani d . 1 . . C
    C7 0.9554(6) 0.4562(5) 0.3268(5) 0.0560(13) Uani d . 1 . . C
    C8 0.9319(8) 0.5483(6) 0.2685(6) 0.0763(18) Uani d . 1 . . C
    H8 1.0155 0.6083 0.2730 0.092 Uiso calc R 1 . . H
    C9 0.7860(8) 0.5479(6) 0.2063(6) 0.082(2) Uani d . 1 . . C
    H9 0.7689 0.6086 0.1678 0.099 Uiso calc R 1 . . H
    C10 0.6600(7) 0.4574(5) 0.1987(5) 0.0632(15) Uani d . 1 . . C
    H10 0.5606 0.4590 0.1546 0.076 Uiso calc R 1 . . H
    C11 1.1230(6) 0.3651(5) 0.4559(5) 0.0683(16) Uani d . 1 . . C
    H11 1.2220 0.3641 0.5013 0.082 Uiso calc R 1 . . H
    C12 1.1044(6) 0.4513(5) 0.3974(5) 0.0700(16) Uani d . 1 . . C
    H12 1.1912 0.5090 0.4033 0.084 Uiso calc R 1 . . H
    C13 0.2209(6) 0.3548(5) 0.1342(5) 0.0646(15) Uani d . 1 . . C
    H13 0.2715 0.4178 0.1984 0.078 Uiso calc R 1 . . H
    C14 0.0918(7) 0.3664(6) 0.0519(5) 0.0732(17) Uani d . 1 . . C
    H14 0.0559 0.4356 0.0611 0.088 Uiso calc R 1 . . H
    C15 0.0179(6) 0.2771(7) -0.0421(5) 0.0744(19) Uani d . 1 . . C
    H15 -0.0692 0.2847 -0.0981 0.089 Uiso calc R 1 . . H
    C16 0.0711(6) 0.1723(6) -0.0564(4) 0.0584(14) Uani d . 1 . . C
    C17 0.2041(5) 0.1665(4) 0.0323(4) 0.0450(11) Uani d . 1 . . C
    C18 0.2603(5) 0.0591(4) 0.0244(4) 0.0455(11) Uani d . 1 . . C
    C19 0.1809(7) -0.0387(5) -0.0701(4) 0.0601(15) Uani d . 1 . . C
    C20 0.2364(9) -0.1435(6) -0.0713(6) 0.0789(19) Uani d . 1 . . C
    H20 0.1865 -0.2108 -0.1318 0.095 Uiso calc R 1 . . H
    C21 0.3626(9) -0.1461(5) 0.0158(6) 0.0759(19) Uani d . 1 . . C
    H21 0.3993 -0.2154 0.0154 0.091 Uiso calc R 1 . . H
    C22 0.4373(7) -0.0456(4) 0.1054(5) 0.0570(14) Uani d . 1 . . C
    H22 0.5252 -0.0482 0.1639 0.068 Uiso calc R 1 . . H
    C23 -0.0032(7) 0.0732(7) -0.1502(5) 0.080(2) Uani d . 1 . . C
    H23 -0.0898 0.0777 -0.2087 0.096 Uiso calc R 1 . . H
    C24 0.0478(8) -0.0280(7) -0.1578(5) 0.082(2) Uani d . 1 . . C
    H24 -0.0044 -0.0920 -0.2210 0.098 Uiso calc R 1 . . H
    H25 0.359(7) 0.026(3) 0.330(4) 0.080 Uiso d D 1 . . H
    H26 0.360(7) 0.120(4) 0.409(2) 0.080 Uiso d D 1 . . H
    H27 0.484(6) 0.446(2) 0.389(4) 0.080 Uiso d D 1 . . H
    H28 0.511(6) 0.374(5) 0.462(2) 0.080 Uiso d D 1 . . H
_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
   are estimated using the full covariance matrix.  The cell esds are
taken
   into account individually in the estimation of esds in distances,
angles and torsion angles; correlations between esds in cell parameters
 are only   used when they are defined by crystal symmetry.
  An approximate (isotropic)   treatment of cell esds is used for
 estimating esds involving l.s. planes.
;
loop_
    _geom_bond_atom_site_label_1
    _geom_bond_atom_site_label_2
    _geom_bond_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    Nb1 O3 . 1.764(3) yes
    Nb1 F4 . 1.882(3) yes
    Nb1 F3 . 1.903(3) yes
    Nb1 F2 . 1.935(3) yes
    Nb1 F1 . 1.966(3) yes
    Nb1 F5 . 2.046(3) yes
    Cd1 O2 . 2.279(3) yes
    Cd1 O1 . 2.296(3) yes
    Cd1 N1 . 2.317(4) yes
    Cd1 N3 . 2.324(4) yes
    Cd1 N4 . 2.364(4) yes
    Cd1 N2 . 2.364(4) yes
    N1 C1 . 1.321(6) ?
    N1 C5 . 1.351(5) ?
    N2 C10 . 1.321(6) ?
    N2 C6 . 1.366(6) ?
    N3 C13 . 1.336(6) ?
    N3 C17 . 1.350(6) ?
    N4 C22 . 1.326(6) ?
    N4 C18 . 1.358(6) ?
    O1 H25 . 0.847(19) ?
    O1 H26 . 0.839(19) ?
    O2 H27 . 0.848(19) ?
    O2 H28 . 0.831(19) ?
    C1 C2 . 1.398(7) ?
    C1 H1 . 0.9300 ?
    C2 C3 . 1.338(8) ?
    C2 H2 . 0.9300 ?
    C3 C4 . 1.408(8) ?
    C3 H3 . 0.9300 ?
    C4 C5 . 1.408(6) ?
    C4 C11 . 1.410(7) ?
    C5 C6 . 1.442(6) ?
    C6 C7 . 1.402(6) ?
    C7 C8 . 1.408(8) ?
    C7 C12 . 1.421(8) ?
    C8 C9 . 1.347(9) ?
    C8 H8 . 0.9300 ?
    C9 C10 . 1.398(8) ?
    C9 H9 . 0.9300 ?
    C10 H10 . 0.9300 ?
    C11 C12 . 1.348(8) ?
    C11 H11 . 0.9300 ?
    C12 H12 . 0.9300 ?
    C13 C14 . 1.375(7) ?
    C13 H13 . 0.9300 ?
    C14 C15 . 1.342(9) ?
    C14 H14 . 0.9300 ?
    C15 C16 . 1.403(8) ?
    C15 H15 . 0.9300 ?
    C16 C23 . 1.404(9) ?
    C16 C17 . 1.415(7) ?
    C17 C18 . 1.439(7) ?
    C18 C19 . 1.404(7) ?
    C19 C20 . 1.405(8) ?
    C19 C24 . 1.430(8) ?
    C20 C21 . 1.353(9) ?
    C20 H20 . 0.9300 ?
    C21 C22 . 1.384(8) ?
    C21 H21 . 0.9300 ?
    C22 H22 . 0.9300 ?
    C23 C24 . 1.345(9) ?
    C23 H23 . 0.9300 ?
    C24 H24 . 0.9300 ?
loop_
    _geom_angle_atom_site_label_1
    _geom_angle_atom_site_label_2
    _geom_angle_atom_site_label_3
    _geom_angle_site_symmetry_1
    _geom_angle_site_symmetry_3
    _geom_angle
    _geom_angle_publ_flag
    O3 Nb1 F4 . . 97.27(16) ?
    O3 Nb1 F3 . . 95.20(16) ?
    F4 Nb1 F3 . . 92.4(2) ?
    O3 Nb1 F2 . . 94.16(16) ?
    F4 Nb1 F2 . . 168.09(15) ?
    F3 Nb1 F2 . . 89.83(18) ?
    O3 Nb1 F1 . . 93.48(15) ?
    F4 Nb1 F1 . . 89.08(17) ?
    F3 Nb1 F1 . . 170.92(13) ?
    F2 Nb1 F1 . . 86.89(16) ?
    O3 Nb1 F5 . . 174.37(16) ?
    F4 Nb1 F5 . . 87.87(16) ?
    F3 Nb1 F5 . . 86.84(13) ?
    F2 Nb1 F5 . . 80.58(16) ?
    F1 Nb1 F5 . . 84.27(13) ?
    O2 Cd1 O1 . . 83.87(13) ?
    O2 Cd1 N1 . . 101.00(13) ?
    O1 Cd1 N1 . . 94.16(13) ?
    O2 Cd1 N3 . . 90.24(14) ?
    O1 Cd1 N3 . . 99.79(13) ?
    N1 Cd1 N3 . . 162.96(14) ?
    O2 Cd1 N4 . . 156.25(14) ?
    O1 Cd1 N4 . . 84.41(13) ?
    N1 Cd1 N4 . . 100.39(13) ?
    N3 Cd1 N4 . . 71.53(14) ?
    O2 Cd1 N2 . . 86.50(13) ?
    O1 Cd1 N2 . . 161.40(13) ?
    N1 Cd1 N2 . . 72.10(13) ?
    N3 Cd1 N2 . . 96.12(14) ?
    N4 Cd1 N2 . . 109.92(13) ?
    C1 N1 C5 . . 119.1(4) ?
    C1 N1 Cd1 . . 124.7(3) ?
    C5 N1 Cd1 . . 115.5(3) ?
    C10 N2 C6 . . 118.5(4) ?
    C10 N2 Cd1 . . 127.1(4) ?
    C6 N2 Cd1 . . 113.9(3) ?
    C13 N3 C17 . . 118.3(4) ?
    C13 N3 Cd1 . . 125.3(3) ?
    C17 N3 Cd1 . . 116.3(3) ?
    C22 N4 C18 . . 119.1(4) ?
    C22 N4 Cd1 . . 125.9(4) ?
    C18 N4 Cd1 . . 114.6(3) ?
    Cd1 O1 H25 . . 111(4) ?
    Cd1 O1 H26 . . 118(4) ?
    H25 O1 H26 . . 107(3) ?
    Cd1 O2 H27 . . 120(4) ?
    Cd1 O2 H28 . . 115(4) ?
    H27 O2 H28 . . 107(3) ?
    N1 C1 C2 . . 122.1(5) ?
    N1 C1 H1 . . 118.9 ?
    C2 C1 H1 . . 118.9 ?
    C3 C2 C1 . . 119.6(5) ?
    C3 C2 H2 . . 120.2 ?
    C1 C2 H2 . . 120.2 ?
    C2 C3 C4 . . 120.2(5) ?
    C2 C3 H3 . . 119.9 ?
    C4 C3 H3 . . 119.9 ?
    C3 C4 C5 . . 116.9(5) ?
    C3 C4 C11 . . 122.8(5) ?
    C5 C4 C11 . . 120.3(5) ?
    N1 C5 C4 . . 122.0(4) ?
    N1 C5 C6 . . 119.4(4) ?
    C4 C5 C6 . . 118.7(4) ?
    N2 C6 C7 . . 122.0(4) ?
    N2 C6 C5 . . 118.4(4) ?
    C7 C6 C5 . . 119.6(4) ?
    C6 C7 C8 . . 117.9(5) ?
    C6 C7 C12 . . 119.2(5) ?
    C8 C7 C12 . . 122.8(5) ?
    C9 C8 C7 . . 118.8(6) ?
    C9 C8 H8 . . 120.6 ?
    C7 C8 H8 . . 120.6 ?
    C8 C9 C10 . . 120.8(6) ?
    C8 C9 H9 . . 119.6 ?
    C10 C9 H9 . . 119.6 ?
    N2 C10 C9 . . 122.0(6) ?
    N2 C10 H10 . . 119.0 ?
    C9 C10 H10 . . 119.0 ?
    C12 C11 C4 . . 120.7(5) ?
    C12 C11 H11 . . 119.7 ?
    C4 C11 H11 . . 119.7 ?
    C11 C12 C7 . . 121.6(5) ?
    C11 C12 H12 . . 119.2 ?
    C7 C12 H12 . . 119.2 ?
    N3 C13 C14 . . 123.0(6) ?
    N3 C13 H13 . . 118.5 ?
    C14 C13 H13 . . 118.5 ?
    C15 C14 C13 . . 119.4(6) ?
    C15 C14 H14 . . 120.3 ?
    C13 C14 H14 . . 120.3 ?
    C14 C15 C16 . . 120.6(5) ?
    C14 C15 H15 . . 119.7 ?
    C16 C15 H15 . . 119.7 ?
    C15 C16 C23 . . 123.8(6) ?
    C15 C16 C17 . . 116.8(5) ?
    C23 C16 C17 . . 119.4(6) ?
    N3 C17 C16 . . 121.9(5) ?
    N3 C17 C18 . . 118.7(4) ?
    C16 C17 C18 . . 119.3(5) ?
    N4 C18 C19 . . 121.9(5) ?
    N4 C18 C17 . . 118.7(4) ?
    C19 C18 C17 . . 119.5(5) ?
    C18 C19 C20 . . 117.2(6) ?
    C18 C19 C24 . . 119.1(6) ?
    C20 C19 C24 . . 123.7(6) ?
    C21 C20 C19 . . 119.7(6) ?
    C21 C20 H20 . . 120.1 ?
    C19 C20 H20 . . 120.1 ?
    C20 C21 C22 . . 120.1(6) ?
    C20 C21 H21 . . 120.0 ?
    C22 C21 H21 . . 120.0 ?
    N4 C22 C21 . . 122.0(6) ?
    N4 C22 H22 . . 119.0 ?
    C21 C22 H22 . . 119.0 ?
    C24 C23 C16 . . 121.7(6) ?
    C24 C23 H23 . . 119.1 ?
    C16 C23 H23 . . 119.1 ?
    C23 C24 C19 . . 121.1(6) ?
    C23 C24 H24 . . 119.5 ?
    C19 C24 H24 . . 119.5 ?
loop_
    _geom_hbond_atom_site_label_D
    _geom_hbond_atom_site_label_H
    _geom_hbond_atom_site_label_A
    _geom_hbond_site_symmetry_A
    _geom_hbond_distance_DH
    _geom_hbond_distance_HA
    _geom_hbond_distance_DA
    _geom_hbond_angle_DHA
    _geom_hbond_publ_flag
    O1 H25 O3 2_656 0.85(4) 1.83(4) 2.672(5) 177 y
    O1 H26 F1 . 0.84(3) 1.84(3) 2.679(5) 172(6) y
    O2 H27 F5 2_666 0.85(3) 1.74(3) 2.582(5) 171 y
    O2 H28 F2 . 0.83(3) 2.12(5) 2.851(5) 146(5) y
    O2 H28 F5 . 0.83(3) 2.44(3) 3.130(5) 142(5) y
    C11 H11 F5 1_655 0.93 2.52 3.427(7) 166 y
    C12 H12 F2 2_766 0.93 2.43 3.299(7) 156 y
    C13 H13 F3 2_666 0.93 2.48 3.089(7) 123 y
    C15 H15 F3 1_454 0.93 2.33 3.224(8) 161 y
