Perfluoropropenyl-containing phosphines from HFC replacements.
Brisdon, Alan K.; Ali Ghaba, Hana; Beutel, Bernd; Egjandi, Amina; Addaraidi, Arij; Pritchard, Robin G.; Dalton transactions (Cambridge, England : 2003) 44 (2015) 19717–19731; doi:10.1039/c5dt02043c

data_7035971
_publ_section_title
;
 Perfluoropropenyl-containing phosphines from HFC replacements.
;
_journal_issue                   45
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              19717
_journal_page_last               19731
_journal_paper_doi               10.1039/c5dt02043c
_journal_volume                  44
_journal_year                    2015
_chemical_formula_moiety         'C14 H4 F20 P2'
_chemical_formula_sum            'C14 H4 F20 P2'
_chemical_formula_weight         614.11
_chemical_name_systematic
;
 (CF3CF=CF)2PCH2CH2P(CF=CFCF3)2
;
_space_group_IT_number           15
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_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
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_audit_update_record
;
2015-07-08 deposited with the CCDC.
2015-07-16 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 106.437(19)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   22.171(6)
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_cell_length_c                   15.967(3)
_cell_measurement_reflns_used    0
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      0
_cell_measurement_theta_min      0
_cell_measurement_wavelength     0.71073
_cell_volume                     2008.0(8)
_computing_cell_refinement
'CrysalisPro  Version 1.171.36.28a (Agilent Technologies, 2013)'
_computing_data_collection
'CrysalisPro  Version 1.171.36.28a (Agilent Technologies, 2013)'
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'CrysalisPro  Version 1.171.36.28a (Agilent Technologies, 2013)'
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_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
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_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 8.3367
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.897
_diffrn_measurement_device_type  'Xcalibur, Sapphire2, large Be window'
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_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1306
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.897
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            6946
_diffrn_reflns_point_group_measured_fraction_full 0.998
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_exptl_absorpt_coefficient_mu    0.401
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_exptl_absorpt_correction_type   multi-scan
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;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28a (release 18-03-2013 CrysAlis171 .NET)
(compiled Mar 18 2013,11:47:30)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.031
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1192
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.015
_refine_diff_density_max         0.949
_refine_diff_density_min         -0.677
_refine_diff_density_rms         0.125
_refine_ls_extinction_method     none
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_refine_ls_number_reflns         2288
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.977
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_refine_ls_R_factor_gt           0.1082
_refine_ls_shift/su_max          0
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1673P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2568
_refine_ls_wR_factor_ref         0.3558
_reflns_number_gt                877
_reflns_number_total             2288
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c5dt02043c1.cif
_cod_data_source_block           orgp204
_cod_depositor_comments
'Adding full bibliography for 7035966--7035973.cif.'
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7035971