Reactivity of [2,6-Bis((dimethylamino)methyl)phenyl]gold(I), an Unusual Intermolecularly Stabilized Bis(amino)aryl−Gold(I) Dimer, toward Alkyl Halides. X-ray Crystal Structures of Its Iodomethane and Methylene Diiodide Adducts†
Contel, María; Nobel, Dominique; Spek, Anthony L.; van Koten, Gerard; Organometallics 19 (2000) 3288–; doi:10.1021/om991043v

data_4077727
_publ_section_title
;
 Reactivity of [2,6-Bis((dimethylamino)methyl)phenyl]gold(I), an Unusual
 Intermolecularly Stabilized Bis(amino)aryl&#x2212;Gold(I) Dimer, toward
 Alkyl Halides. X-ray Crystal Structures of Its Iodomethane and Methylene
 Diiodide Adducts&#x2020;
;
_journal_issue                   17
_journal_name_full               Organometallics
_journal_page_first              3288
_journal_paper_doi               10.1021/om991043v
_journal_volume                  19
_journal_year                    2000
_chemical_compound_source        'see text'
_chemical_formula_moiety         'C14 H25 Au I N2, I, O H2'
_chemical_formula_sum            'C14 H27 Au I2 N2 O'
_chemical_formula_weight         690.15
_chemical_name_systematic
;
 ?
;
_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'
_cell_angle_alpha                90
_cell_angle_beta                 98.85(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.6280(6)
_cell_length_b                   22.9164(9)
_cell_length_c                   9.0688(5)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293
_cell_measurement_theta_max      17
_cell_measurement_theta_min      12
_cell_volume                     1977.11(19)
_computing_cell_refinement       'SET4 (de Boer & Duisenberg, 1984)'
_computing_data_collection       'Locally modified CAD4-Version 5 Software'
_computing_data_reduction        'HELENA (Spek, 1997)'
_computing_publication_material  'PLATON (Spek, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    DIRDIF99
_diffrn_ambient_temperature      293
_diffrn_measurement_device_type  'Enraf-Nonius CAD4'
_diffrn_measurement_method       'omega/2-theta scan'
_diffrn_radiation_monochromator  Zr-filter
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0449
_diffrn_reflns_av_sigmaI/netI    0.0443
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            4899
_diffrn_reflns_theta_max         27.49
_diffrn_reflns_theta_min         1.78
_exptl_absorpt_coefficient_mu    10.84
_exptl_absorpt_correction_T_max  0.515
_exptl_absorpt_correction_T_min  0.070
_exptl_absorpt_correction_type   delref
_exptl_absorpt_process_details   PLATON/DELABS
_exptl_crystal_colour            yellowish
_exptl_crystal_density_diffrn    2.319
_exptl_crystal_density_method    'Not Measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1272
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.483
_refine_diff_density_min         -1.898
_refine_diff_density_rms         0.187
_refine_ls_abs_structure_details none
_refine_ls_abs_structure_Flack   none
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_hydrogen_treatment    'H-atom refinement: see text '
_refine_ls_matrix_type           full
_refine_ls_number_parameters     187
_refine_ls_number_reflns         4517
_refine_ls_restrained_S_all      1.029
_refine_ls_R_factor_all          0.0848
_refine_ls_R_factor_gt           0.0484
_refine_ls_shift/su_max          0.018
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0600P)^2^+8.4580P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1101
_refine_ls_wR_factor_ref         0.1247
_reflns_number_gt                3190
_reflns_number_total             4517
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            om991043v.cif
_cod_data_source_block           s320a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from
2011-04-26.

'_refine_ls_weighting_scheme' value 'calc ' changed to
'calc' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        1977.0(3)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4077727