Supramolecular chemistry of the ligand N,N'-bis(2-diphenylphosphinoethyl)phthalamide and its complexes with gold(I) and silver(I)
Nasser Nasser; Richard J. Puddephatt; Inorganica Chimica Acta  (2014) 238–243; doi:10.1016/j.ica.2013.09.024

data_1543586
_publ_section_title
;
 Supramolecular chemistry of the ligand
 N,N'-bis(2-diphenylphosphinoethyl)phthalamide and its complexes with
 gold(I) and silver(I)
;
_journal_name_full               'Inorganica Chimica Acta'
_journal_page_first              238
_journal_page_last               243
_journal_paper_doi               10.1016/j.ica.2013.09.024
_journal_volume                  409B
_journal_year                    2014
_chemical_formula_sum            'C22 H18 N O2.13 P'
_chemical_formula_weight         361.42
_space_group_crystal_system      triclinic
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_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                63.414(9)
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_cell_formula_units_Z            2
_cell_length_a                   9.364(2)
_cell_length_b                   10.099(2)
_cell_length_c                   11.111(3)
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_cell_measurement_theta_min      2.73
_cell_volume                     885.1(4)
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_computing_publication_material  cif2tables.py
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_computing_structure_solution    SIR92
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_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.971
_diffrn_measurement_device_type  'Bruker Kappa Axis Apex2'
_diffrn_measurement_method       'omega and phi scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_limit_h_max       18
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_diffrn_reflns_limit_k_max       20
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_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            91279
_diffrn_reflns_point_group_measured_fraction_full 0.998
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_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         45.433
_diffrn_reflns_theta_min         2.406
_diffrn_source                   'sealed tube'
_exptl_absorpt_coefficient_mu    0.172
_exptl_absorpt_correction_T_max  0.7489
_exptl_absorpt_correction_T_min  0.6889
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.356
_exptl_crystal_description       prism
_exptl_crystal_F_000             378
_exptl_crystal_size_max          0.421
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_refine_ls_R_factor_all          0.0715
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0687P)^2^+0.0829P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1218
_refine_ls_wR_factor_ref         0.1363
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                10110
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_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ICA-2014-409B-238-243-1.cif
_cod_data_source_block           dpppi
_cod_depositor_comments
;
The following automatic conversions were performed:

'_journal_paper_doi' value 'doi:10.1016/j.ica.2013.09.024' was
changed to '10.1016/j.ica.2013.09.024'.

Automatic conversion script
Id: cif_fix_values 6433 2018-09-21 13:16:33Z andrius 
;
_cod_database_code               1543586
_shelx_estimated_absorpt_t_min   0.931
_shelx_estimated_absorpt_t_max   0.971
_shelxl_version_number           2013-3
_shelx_res_checksum              95953