Synthesis and structural trends in a series of simple tetraalkylphosphonium salts
Gawraczyński, Jakub; Leszczyński, Piotr J.; Cyrański, Michał K.; Dobrzycki, Łukasz; Koźmiński, Wiktor; Fijałkowski, Karol J.; Grochala, Wojciech; Jaroń, Tomasz; CrystEngComm 26 (2024) 2673–2682; doi:10.1039/D4CE00210E

data_7248501
_publ_section_title
;
 Synthesis and structural trends in a series of simple
 tetraalkylphosphonium salts
;
_journal_issue                   20
_journal_name_full               CrystEngComm
_journal_page_first              2673
_journal_page_last               2682
_journal_paper_doi               10.1039/D4CE00210E
_journal_volume                  26
_journal_year                    2024
_chemical_formula_moiety         'C8 H20 P, H O4 S'
_chemical_formula_sum            'C8 H21 O4 P S'
_chemical_formula_weight         244.28
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_audit_update_record
;
2024-02-27 deposited with the CCDC.	2024-04-15 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90.112(8)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.1506(9)
_cell_length_b                   14.1196(14)
_cell_length_c                   9.8428(10)
_cell_measurement_temperature    295
_cell_volume                     1271.7(2)
_diffrn_ambient_temperature      295
_diffrn_measurement_device_type  'Panalytical X'Pert Pro'
_diffrn_radiation_monochromator  none
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Co K\a'
_diffrn_radiation_wavelength     1.79031
_exptl_absorpt_coefficient_mu    5.204
_exptl_crystal_density_diffrn    1.2759
_exptl_crystal_F_000             528
_pd_char_colour                  white
_pd_instr_location               ' ?'
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_pd_meas_2theta_range_max        89.997
_pd_meas_2theta_range_min        5.007
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_pd_meas_scan_method             cont
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_pd_proc_2theta_range_inc        0.013
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_pd_proc_2theta_range_min        5.007
_pd_proc_ls_background_function  '36 Legendre polynoms'
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_pd_proc_ls_prof_R_factor        0.025116
_pd_proc_ls_prof_wR_expected     0.013882
_pd_proc_ls_prof_wR_factor       0.036213
_pd_spec_mounting                'quartz capillary'
_pd_spec_mount_mode              transmission
_pd_spec_shape                   cylinder
_pd_spec_size_axial              18
_pd_spec_size_equat              0.7
_refine_diff_density_max         0.13
_refine_diff_density_min         -0.14
_refine_ls_goodness_of_fit_all   2.6088
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_constraints    8
_refine_ls_number_parameters     126
_refine_ls_number_restraints     19
_refine_ls_R_factor_all          0.0550
_refine_ls_R_factor_gt           0.0488
_refine_ls_shift/su_max          0.0484
_refine_ls_shift/su_mean         0.0054
_refine_ls_weighting_details     w=1/(\s^2^(I)+0.0016I^2^)
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.0452
_refine_ls_wR_factor_gt          0.0444
_cod_data_source_file            d4ce00210e2.cif
_cod_data_source_block           03TEPHS_beta
_cod_depositor_comments
'Adding full bibliography for 7248499--7248509.cif.'
_cod_database_code               7248501