#------------------------------------------------------------------------------
#$Date: 2019-11-24 12:47:57 +0200 (Sun, 24 Nov 2019) $
#$Revision: 237935 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/08/90/4089037.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_4089037
loop_
_publ_author_name
'Uhl, Werner'
'Willeke, Matthias'
'Hengesbach, Frank'
'Hepp, Alexander'
'Layh, Marcus'
_publ_section_title
;
 Aluminum and Gallium Hydrazides as Active Lewis Pairs: Cooperative C--H
 Bond Activation with H--C≡C--Ph and Pentafluorobenzene
;
_journal_issue                   21
_journal_name_full               Organometallics
_journal_page_first              3701
_journal_paper_doi               10.1021/acs.organomet.6b00658
_journal_volume                  35
_journal_year                    2016
_chemical_formula_sum            'C30 H25.5 F12.5 Ga N2'
_chemical_formula_weight         721.24
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                94.385(2)
_cell_angle_beta                 112.5090(10)
_cell_angle_gamma                97.7410(10)
_cell_formula_units_Z            2
_cell_length_a                   11.4372(6)
_cell_length_b                   11.6551(6)
_cell_length_c                   11.7123(6)
_cell_measurement_reflns_used    9973
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      29.957
_cell_measurement_theta_min      2.417
_cell_volume                     1415.14(13)
_computing_cell_refinement       'Bruker SAINT+'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-2014 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0271
_diffrn_reflns_av_unetI/netI     0.0449
_diffrn_reflns_Laue_measured_fraction_full 0.981
_diffrn_reflns_Laue_measured_fraction_max 0.983
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            21917
_diffrn_reflns_point_group_measured_fraction_full 0.981
_diffrn_reflns_point_group_measured_fraction_max 0.983
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.034
_diffrn_reflns_theta_min         1.901
_diffrn_source                   microsource
_exptl_absorpt_coefficient_mu    1.080
_exptl_absorpt_correction_T_max  0.746
_exptl_absorpt_correction_T_min  0.6905
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.693
_exptl_crystal_description       plate
_exptl_crystal_F_000             726
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.140
_exptl_crystal_size_min          0.030
_refine_diff_density_max         0.991
_refine_diff_density_min         -0.944
_refine_diff_density_rms         0.088
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     419
_refine_ls_number_reflns         8143
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.056
_refine_ls_R_factor_all          0.0659
_refine_ls_R_factor_gt           0.0471
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0416P)²+1.3063P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0977
_refine_ls_wR_factor_ref         0.1042
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6523
_reflns_number_total             8143
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            om6b00658_si_001.cif
_cod_data_source_block           sad_(compound_7b)
_cod_original_formula_sum        'C30 H25.50 F12.50 Ga N2'
_cod_database_code               4089037
_shelx_shelxl_version_number     2014/7
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.813
_shelx_estimated_absorpt_t_max   0.968
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
Ga1 Ga 0.55266(2) 0.62265(2) 0.68508(2) 0.01598(7) Uani 1 1 d . . .
H1 H 0.523(2) 0.630(2) 0.555(2) 0.017(6) Uiso 1 1 d . . .
N1 N 0.68508(18) 0.77272(16) 0.78761(18) 0.0199(4) Uani 1 1 d . . .
C1 C 0.6948(4) 0.8173(2) 0.8976(3) 0.0620(12) Uani 1 1 d . . .
C11 C 0.6704(2) 0.73945(19) 0.9859(2) 0.0209(5) Uani 1 1 d . . .
H11 H 0.6219 0.6646 0.9411 0.025 Uiso 1 1 calc R U .
C12 C 0.5968(2) 0.7978(2) 1.0505(3) 0.0387(7) Uani 1 1 d . . .
H12A H 0.5810 0.7493 1.1075 0.046 Uiso 1 1 calc R U .
H12B H 0.5153 0.8075 0.9896 0.046 Uiso 1 1 calc R U .
C13 C 0.6747(3) 0.9176(2) 1.1218(3) 0.0346(6) Uani 1 1 d . . .
H13 H 0.6277 0.9546 1.1621 0.042 Uiso 1 1 calc R U .
C14 C 0.6984(3) 0.9933(2) 1.0294(3) 0.0460(8) Uani 1 1 d . . .
H14A H 0.7457 1.0691 1.0726 0.055 Uiso 1 1 calc R U .
H14B H 0.6176 1.0035 0.9676 0.055 Uiso 1 1 calc R U .
C15 C 0.7743(4) 0.9355(2) 0.9657(3) 0.0493(9) Uani 1 1 d . . .
H15 H 0.7894 0.9832 0.9076 0.059 Uiso 1 1 calc R U .
C16 C 0.9001(3) 0.9188(3) 1.0629(3) 0.0467(9) Uani 1 1 d . . .
H16A H 0.9503 0.9935 1.1064 0.056 Uiso 1 1 calc R U .
H16B H 0.9476 0.8819 1.0232 0.056 Uiso 1 1 calc R U .
C17 C 0.8770(2) 0.8441(2) 1.1546(2) 0.0297(6) Uani 1 1 d . . .
H17 H 0.9581 0.8342 1.2160 0.036 Uiso 1 1 calc R U .
C18 C 0.8030(3) 0.9015(2) 1.2187(2) 0.0293(5) Uani 1 1 d . . .
H18A H 0.8519 0.9761 1.2641 0.035 Uiso 1 1 calc R U .
H18B H 0.7889 0.8536 1.2769 0.035 Uiso 1 1 calc R U .
C19 C 0.8000(2) 0.7251(2) 1.0840(2) 0.0252(5) Uani 1 1 d . . .
H19A H 0.7863 0.6759 1.1415 0.030 Uiso 1 1 calc R U .
H19B H 0.8474 0.6883 1.0441 0.030 Uiso 1 1 calc R U .
N2 N 0.73299(18) 0.85741(16) 0.72254(18) 0.0186(4) Uani 1 1 d . . .
C2 C 0.7947(2) 0.7997(2) 0.6509(2) 0.0233(5) Uani 1 1 d . . .
H2A H 0.7324 0.7412 0.5866 0.028 Uiso 1 1 calc R U .
H2B H 0.8604 0.7622 0.7049 0.028 Uiso 1 1 calc R U .
C21 C 0.8537(2) 0.8912(2) 0.5931(2) 0.0243(5) Uani 1 1 d . . .
H21A H 0.9202 0.9463 0.6581 0.029 Uiso 1 1 calc R U .
H21B H 0.8921 0.8538 0.5439 0.029 Uiso 1 1 calc R U .
C22 C 0.7530(2) 0.9551(2) 0.5115(2) 0.0269(5) Uani 1 1 d . . .
H22A H 0.6919 0.9019 0.4407 0.032 Uiso 1 1 calc R U .
H22B H 0.7932 1.0166 0.4816 0.032 Uiso 1 1 calc R U .
C23 C 0.6845(3) 1.0061(2) 0.5861(3) 0.0293(6) Uani 1 1 d . . .
H23A H 0.6167 1.0419 0.5327 0.035 Uiso 1 1 calc R U .
H23B H 0.7440 1.0653 0.6516 0.035 Uiso 1 1 calc R U .
C24 C 0.6284(2) 0.9108(2) 0.6422(2) 0.0244(5) Uani 1 1 d . . .
H24A H 0.5860 0.9439 0.6900 0.029 Uiso 1 1 calc R U .
H24B H 0.5664 0.8528 0.5770 0.029 Uiso 1 1 calc R U .
C3 C 0.6372(2) 0.48733(19) 0.7492(2) 0.0185(4) Uani 1 1 d . . .
C31 C 0.7688(2) 0.4915(2) 0.8062(2) 0.0195(4) Uani 1 1 d . . .
C32 C 0.8253(2) 0.3962(2) 0.8441(2) 0.0232(5) Uani 1 1 d . . .
C33 C 0.7482(3) 0.2899(2) 0.8253(2) 0.0269(5) Uani 1 1 d . . .
C34 C 0.6167(3) 0.2795(2) 0.7665(2) 0.0263(5) Uani 1 1 d . . .
C35 C 0.5648(2) 0.3772(2) 0.7304(2) 0.0220(5) Uani 1 1 d . . .
F31 F 0.85030(12) 0.59403(12) 0.82716(13) 0.0255(3) Uani 1 1 d . . .
F32 F 0.95334(14) 0.40623(14) 0.89910(14) 0.0337(4) Uani 1 1 d . . .
F33 F 0.80118(17) 0.19623(13) 0.86382(16) 0.0402(4) Uani 1 1 d . . .
F34 F 0.54167(16) 0.17422(12) 0.74628(16) 0.0376(4) Uani 1 1 d . . .
F35 F 0.43524(13) 0.36240(12) 0.67215(13) 0.0272(3) Uani 1 1 d . . .
C4 C 0.4004(2) 0.63986(19) 0.7275(2) 0.0181(4) Uani 1 1 d . . .
C41 C 0.3674(2) 0.58392(19) 0.8137(2) 0.0198(4) Uani 1 1 d . . .
C42 C 0.2659(2) 0.6038(2) 0.8447(2) 0.0251(5) Uani 1 1 d . . .
C43 C 0.1903(2) 0.6810(2) 0.7856(3) 0.0299(6) Uani 1 1 d . . .
C44 C 0.2166(2) 0.7367(2) 0.6974(3) 0.0278(5) Uani 1 1 d . . .
C45 C 0.3198(2) 0.71602(19) 0.6707(2) 0.0228(5) Uani 1 1 d . . .
F41 F 0.43725(13) 0.50688(12) 0.87515(13) 0.0248(3) Uani 1 1 d . . .
F42 F 0.24130(16) 0.54910(14) 0.93171(15) 0.0374(4) Uani 1 1 d . . .
F43 F 0.09098(15) 0.70046(14) 0.81384(19) 0.0449(5) Uani 1 1 d . . .
F44 F 0.14041(15) 0.80993(13) 0.63645(18) 0.0431(4) Uani 1 1 d . . .
F45 F 0.34080(14) 0.77410(13) 0.58281(15) 0.0338(4) Uani 1 1 d . . .
C51 C 0.9750(3) 0.4295(2) 0.5793(2) 0.0326(6) Uani 1 1 d . . .
C52 C 0.8945(3) 0.5064(2) 0.5280(2) 0.0323(6) Uani 1 1 d . . .
C53 C 0.9196(3) 0.5767(2) 0.4486(2) 0.0312(6) Uani 1 1 d . . .
F51 F 0.9506(2) 0.35927(19) 0.65423(19) 0.0472(5) Uani 0.8333 1 d . . P
F52 F 0.7930(2) 0.5111(2) 0.5536(2) 0.0555(6) Uani 0.8333 1 d . . P
F53 F 0.84260(19) 0.65086(17) 0.39735(18) 0.0389(5) Uani 0.8333 1 d . . P
H51A H 0.9575 0.3800 0.6349 0.047 Uiso 0.1667 1 d . U P
H52A H 0.8208 0.5105 0.5479 0.047 Uiso 0.1667 1 d . U P
H53A H 0.8636 0.6306 0.4124 0.047 Uiso 0.1667 1 d . U P
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'
Ga Ga 0.2307 1.6083 '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
C3 Ga1 C4 114.22(9) . .
C3 Ga1 N1 105.69(9) . .
C4 Ga1 N1 102.24(8) . .
C3 Ga1 H1 114.8(9) . .
C4 Ga1 H1 111.3(10) . .
N1 Ga1 H1 107.5(10) . .
C1 N1 N2 113.53(19) . .
C1 N1 Ga1 122.61(19) . .
N2 N1 Ga1 119.61(14) . .
N1 C1 C11 120.7(2) . .
N1 C1 C15 124.0(3) . .
C11 C1 C15 111.7(2) . .
C1 C11 C12 108.8(2) . .
C1 C11 C19 108.5(2) . .
C12 C11 C19 109.0(2) . .
C1 C11 H11 110.2 . .
C12 C11 H11 110.2 . .
C19 C11 H11 110.2 . .
C11 C12 C13 110.0(2) . .
C11 C12 H12A 109.7 . .
C13 C12 H12A 109.7 . .
C11 C12 H12B 109.7 . .
C13 C12 H12B 109.7 . .
H12A C12 H12B 108.2 . .
C18 C13 C14 109.2(2) . .
C18 C13 C12 109.4(2) . .
C14 C13 C12 108.8(3) . .
C18 C13 H13 109.8 . .
C14 C13 H13 109.8 . .
C12 C13 H13 109.8 . .
C13 C14 C15 110.1(2) . .
C13 C14 H14A 109.6 . .
C15 C14 H14A 109.6 . .
C13 C14 H14B 109.6 . .
C15 C14 H14B 109.6 . .
H14A C14 H14B 108.2 . .
C16 C15 C1 109.5(3) . .
C16 C15 C14 109.4(2) . .
C1 C15 C14 107.5(3) . .
C16 C15 H15 110.1 . .
C1 C15 H15 110.1 . .
C14 C15 H15 110.1 . .
C15 C16 C17 110.3(2) . .
C15 C16 H16A 109.6 . .
C17 C16 H16A 109.6 . .
C15 C16 H16B 109.6 . .
C17 C16 H16B 109.6 . .
H16A C16 H16B 108.1 . .
C16 C17 C18 110.3(2) . .
C16 C17 C19 108.7(2) . .
C18 C17 C19 109.6(2) . .
C16 C17 H17 109.4 . .
C18 C17 H17 109.4 . .
C19 C17 H17 109.4 . .
C17 C18 C13 109.6(2) . .
C17 C18 H18A 109.7 . .
C13 C18 H18A 109.7 . .
C17 C18 H18B 109.7 . .
C13 C18 H18B 109.7 . .
H18A C18 H18B 108.2 . .
C17 C19 C11 110.05(19) . .
C17 C19 H19A 109.7 . .
C11 C19 H19A 109.7 . .
C17 C19 H19B 109.7 . .
C11 C19 H19B 109.7 . .
H19A C19 H19B 108.2 . .
C24 N2 N1 110.39(17) . .
C24 N2 C2 111.37(18) . .
N1 N2 C2 109.71(16) . .
N2 C2 C21 108.84(18) . .
N2 C2 H2A 109.9 . .
C21 C2 H2A 109.9 . .
N2 C2 H2B 109.9 . .
C21 C2 H2B 109.9 . .
H2A C2 H2B 108.3 . .
C22 C21 C2 111.0(2) . .
C22 C21 H21A 109.4 . .
C2 C21 H21A 109.4 . .
C22 C21 H21B 109.4 . .
C2 C21 H21B 109.4 . .
H21A C21 H21B 108.0 . .
C21 C22 C23 109.7(2) . .
C21 C22 H22A 109.7 . .
C23 C22 H22A 109.7 . .
C21 C22 H22B 109.7 . .
C23 C22 H22B 109.7 . .
H22A C22 H22B 108.2 . .
C22 C23 C24 110.4(2) . .
C22 C23 H23A 109.6 . .
C24 C23 H23A 109.6 . .
C22 C23 H23B 109.6 . .
C24 C23 H23B 109.6 . .
H23A C23 H23B 108.1 . .
N2 C24 C23 108.58(19) . .
N2 C24 H24A 110.0 . .
C23 C24 H24A 110.0 . .
N2 C24 H24B 110.0 . .
C23 C24 H24B 110.0 . .
H24A C24 H24B 108.4 . .
C35 C3 C31 114.2(2) . .
C35 C3 Ga1 120.69(17) . .
C31 C3 Ga1 124.92(17) . .
F31 C31 C32 116.0(2) . .
F31 C31 C3 119.89(19) . .
C32 C31 C3 124.1(2) . .
F32 C32 C33 120.0(2) . .
F32 C32 C31 121.1(2) . .
C33 C32 C31 118.9(2) . .
F33 C33 C32 119.9(2) . .
F33 C33 C34 120.4(2) . .
C32 C33 C34 119.8(2) . .
F34 C34 C35 121.4(2) . .
F34 C34 C33 119.4(2) . .
C35 C34 C33 119.2(2) . .
F35 C35 C34 117.0(2) . .
F35 C35 C3 119.2(2) . .
C34 C35 C3 123.8(2) . .
C41 C4 C45 114.0(2) . .
C41 C4 Ga1 126.04(16) . .
C45 C4 Ga1 119.92(17) . .
F41 C41 C4 120.12(19) . .
F41 C41 C42 116.0(2) . .
C4 C41 C42 123.8(2) . .
F42 C42 C43 119.9(2) . .
F42 C42 C41 120.8(2) . .
C43 C42 C41 119.2(2) . .
F43 C43 C44 120.5(2) . .
F43 C43 C42 120.0(2) . .
C44 C43 C42 119.5(2) . .
F44 C44 C43 119.7(2) . .
F44 C44 C45 120.8(2) . .
C43 C44 C45 119.5(2) . .
F45 C45 C44 116.6(2) . .
F45 C45 C4 119.5(2) . .
C44 C45 C4 123.9(2) . .
F51 C51 C53 119.3(3) . 2_766
F51 C51 C52 120.5(3) . .
C53 C51 C52 120.3(3) 2_766 .
F51 C51 H51A 1.2 . .
C53 C51 H51A 119.9 2_766 .
C52 C51 H51A 119.8 . .
F52 C52 C53 120.1(3) . .
F52 C52 C51 120.1(3) . .
C53 C52 C51 119.7(3) . .
F52 C52 H52A 0.8 . .
C53 C52 H52A 120.3 . .
C51 C52 H52A 120.0 . .
F53 C53 C52 120.7(3) . .
F53 C53 C51 119.3(3) . 2_766
C52 C53 C51 120.0(2) . 2_766
F53 C53 H53A 0.7 . .
C52 C53 H53A 120.1 . .
C51 C53 H53A 119.9 2_766 .
C51 F51 H51A 3.3 . .
C52 F52 H52A 2.3 . .
C53 F53 H53A 2.0 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ga1 C3 2.006(2) .
Ga1 C4 2.015(2) .
Ga1 N1 2.0899(19) .
Ga1 H1 1.44(2) .
N1 C1 1.309(4) .
N1 N2 1.464(2) .
C1 C11 1.506(3) .
C1 C15 1.517(4) .
C11 C12 1.519(4) .
C11 C19 1.529(3) .
C11 H11 0.9600 .
C12 C13 1.535(4) .
C12 H12A 0.9600 .
C12 H12B 0.9600 .
C13 C18 1.520(4) .
C13 C14 1.527(4) .
C13 H13 0.9600 .
C14 C15 1.530(5) .
C14 H14A 0.9600 .
C14 H14B 0.9600 .
C15 C16 1.503(5) .
C15 H15 0.9600 .
C16 C17 1.511(4) .
C16 H16A 0.9600 .
C16 H16B 0.9600 .
C17 C18 1.513(4) .
C17 C19 1.523(3) .
C17 H17 0.9600 .
C18 H18A 0.9600 .
C18 H18B 0.9600 .
C19 H19A 0.9600 .
C19 H19B 0.9600 .
N2 C24 1.460(3) .
N2 C2 1.466(3) .
C2 C21 1.522(3) .
C2 H2A 0.9600 .
C2 H2B 0.9600 .
C21 C22 1.514(3) .
C21 H21A 0.9600 .
C21 H21B 0.9600 .
C22 C23 1.516(3) .
C22 H22A 0.9600 .
C22 H22B 0.9600 .
C23 C24 1.523(3) .
C23 H23A 0.9600 .
C23 H23B 0.9600 .
C24 H24A 0.9600 .
C24 H24B 0.9600 .
C3 C35 1.383(3) .
C3 C31 1.385(3) .
C31 F31 1.355(3) .
C31 C32 1.378(3) .
C32 F32 1.339(3) .
C32 C33 1.370(4) .
C33 F33 1.344(3) .
C33 C34 1.377(4) .
C34 F34 1.347(3) .
C34 C35 1.375(3) .
C35 F35 1.353(3) .
C4 C41 1.383(3) .
C4 C45 1.386(3) .
C41 F41 1.347(3) .
C41 C42 1.384(3) .
C42 F42 1.339(3) .
C42 C43 1.372(4) .
C43 F43 1.341(3) .
C43 C44 1.366(4) .
C44 F44 1.347(3) .
C44 C45 1.378(3) .
C45 F45 1.352(3) .
C51 F51 1.324(3) .
C51 C53 1.373(4) 2_766
C51 C52 1.376(4) .
C51 H51A 0.9611 .
C52 F52 1.311(3) .
C52 C53 1.371(4) .
C52 H52A 0.9626 .
C53 F53 1.327(3) .
C53 C51 1.373(4) 2_766
C53 H53A 0.9619 .
F51 H51A 0.3637 .
F52 H52A 0.3489 .
F53 H53A 0.3658 .
