The subtle tetramorphism of MePh3P+I3–
Chow, Hong; Dean, Philip A. W.; Craig, Donald C.; Lucas, Nigel T.; Scudder, Marcia L.; Dance, Ian G.; New Journal of Chemistry 27 (2003) 704–; doi:10.1039/b208112a

data_7050446
_publ_section_title
;
 The subtle tetramorphism of MePh3P+I3--
;
_journal_issue                   4
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              704
_journal_paper_doi               10.1039/b208112a
_journal_volume                  27
_journal_year                    2003
_chemical_formula_moiety         'C19 H18 P 1+,I3 1-'
_chemical_formula_sum            'C19 H18 I3 P'
_chemical_formula_weight         658.0
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_type_scat_source
'International Tables for X-ray Crystallography, Vol. IV'
_audit_creation_method           'RAELSPUB and manual entry'
_cell_angle_alpha                90
_cell_angle_beta                 107.10(3)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   19.770(8)
_cell_length_b                   11.978(3)
_cell_length_c                   18.715(8)
_cell_measurement_reflns_used    10
_cell_measurement_temperature    294
_cell_measurement_theta_max      11
_cell_measurement_theta_min      10
_cell_volume                     4236(3)
_computing_cell_refinement       'CAD4 Version 5.0, 1989'
_computing_data_collection       'CAD4 Version 5.0, 1989'
_computing_data_reduction        'Local program'
_computing_molecular_graphics    'ORTEP-II, (Johnson, 1976)'
_computing_publication_material  'Local programs'
_computing_structure_refinement  'RAELS, (Rae, 1989)'
_computing_structure_solution    'SIR92 (Altomare et al, 1994)'
_diffrn_measurement_device_type  'Nonius CAD-4'
_diffrn_measurement_method       \w--2\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.078
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            5868
_diffrn_reflns_theta_max         23
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  30min
_diffrn_standards_number         1
_exptl_absorpt_coefficient_mu    4.454
_exptl_absorpt_correction_T_max  0.61
_exptl_absorpt_correction_T_min  0.41
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   '(DeMeulenaer & Tompa, 1965)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    2.06
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2448.0
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.09
_refine_diff_density_max         1.84
_refine_diff_density_min         -1.67
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.84
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     217
_refine_ls_number_reflns         2342
_refine_ls_R_factor_gt           0.068
_refine_ls_shift/su_max          0.003
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(F) + 0.0004F^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.083
_reflns_number_gt                2342
_reflns_number_total             5650
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            b208112a.txt
_cod_data_source_block           DID275
_cod_original_cell_volume        4236(4)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C19 H18 I3 P1'
_cod_database_code               7050446