Three-coordinate gold(I) N-heterocyclic carbene complexes: a new class of strongly luminescent derivatives.
Visbal, Renso; López-de-Luzuriaga, José M; Laguna, Antonio; Gimeno, M Concepción; Dalton transactions (Cambridge, England : 2003) 43 (2014) 328–334; doi:10.1039/c3dt52146j

data_7029257
_publ_section_title
;
 Three-coordinate gold(I) N-heterocyclic carbene complexes: a new class of
 strongly luminescent derivatives.
;
_journal_issue                   1
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              328
_journal_page_last               334
_journal_paper_doi               10.1039/c3dt52146j
_journal_volume                  43
_journal_year                    2014
_chemical_formula_sum            'C59 H64 Au Cl2 F3 N2 O3 P2 S'
_chemical_formula_weight         1267.99
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           2
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_symmetry_space_group_name_Hall  '-P 1'
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_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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_cell_angle_gamma                89.4190(10)
_cell_formula_units_Z            2
_cell_length_a                   11.4745(10)
_cell_length_b                   12.6486(11)
_cell_length_c                   19.5252(16)
_cell_measurement_reflns_used    9891
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      56.297
_cell_measurement_theta_min      4.495
_cell_volume                     2781.6(4)
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_collection       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker p4'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
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_diffrn_reflns_theta_full        25.50
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_diffrn_reflns_theta_min         1.06
_exptl_absorpt_coefficient_mu    2.892
_exptl_absorpt_correction_T_max  0.6548
_exptl_absorpt_correction_T_min  0.3909
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            pale-green
_exptl_crystal_density_diffrn    1.514
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       tablet
_exptl_crystal_F_000             1284
_exptl_crystal_size_max          0.40
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_refine_diff_density_max         7.308
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_refine_ls_number_parameters     642
_refine_ls_number_reflns         10289
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0104P)^2^+53.7368P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1546
_refine_ls_wR_factor_ref         0.1571
_reflns_number_gt                9512
_reflns_number_total             10289
_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            c3dt52146j.txt
_cod_data_source_block           con212-renso
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/automatic-downloads/current/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 

The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'multi-scans' was replaced
with the value 'multi-scan' as specified in the replacement file
'src/cod-tools/trunk/data/replacement-values/replacement_values.lst'.

Automatic conversion script
Id: cif_fix_values 5376 2017-05-30 11:51:03Z andrius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7029257