Bromo[tris(2-cyanoethyl)phosphine]gold(I), [(CEP)AuBr]
Al-Arfaj, A. R.; Hussain, M. S.; Isab, A. A.; Akhtar, M. N.; Acta Crystallographica Section C 52 (1996) 550–553; doi:10.1107/S0108270195009814

data_2004641
_publ_section_title
;
 Bromo[tris(2-cyanoethyl)phosphine]gold(I), [(CEP)AuBr]
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              550
_journal_page_last               553
_journal_paper_doi               10.1107/S0108270195009814
_journal_volume                  52
_journal_year                    1996
_chemical_formula_iupac          '[Au1 Br1 (C9 H12 N3 P1)]'
_chemical_formula_sum            'C9 H12 Au Br N3 P'
_chemical_formula_weight         470.06
_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           'Cromer (1974) and IntTabIV Table 2.2B'
_cell_angle_alpha                90.
_cell_angle_beta                 100.03(3)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   8.725(2)
_cell_length_b                   7.891(3)
_cell_length_c                   19.127(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      30.00
_cell_measurement_theta_min      2.37
_cell_volume                     1296.7(6)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0411
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            3883
_diffrn_reflns_theta_max         30.0
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    14.52
_exptl_absorpt_correction_T_max  0.908
_exptl_absorpt_correction_T_min  0.308
_exptl_absorpt_correction_type   'empirical via \y scans (SDP; Frenz, 1991)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.408
_exptl_crystal_density_method    none
_exptl_crystal_description       plate
_exptl_crystal_size_max          0.95
_exptl_crystal_size_mid          0.85
_exptl_crystal_size_min          0.45
_refine_diff_density_max         1.12
_refine_diff_density_min         -0.88
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.001
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     136
_refine_ls_number_reflns         2372
_refine_ls_R_factor_obs          0.0384
_refine_ls_shift/esd_max         0.004
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_scheme
;
w = 1/[\s^2^(F~o~^2^) + (0.2275P)^2^ + 8.12P] where P =
[max(F~o~^2^,0) + 2F~c~^2^]/3
;
_refine_ls_wR_factor_obs         0.0421
_reflns_number_observed          2372
_reflns_number_total             3776
_reflns_observed_criterion       F~o~^2^>2\s(F~o~^2^)
_cod_data_source_file            mu1183.cif
_cod_data_source_block           mu1183a
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2004641