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_4077728
_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         'C13 H21 Au I N2, C2 H3 N, I'
_chemical_formula_sum            'C15 H24 Au I2 N3'
_chemical_formula_weight         697.14
_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                 118.352(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.7685(7)
_cell_length_b                   7.3762(5)
_cell_length_c                   21.8875(11)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    150
_cell_measurement_theta_max      14
_cell_measurement_theta_min      10
_cell_volume                     1956.2(2)
_computing_cell_refinement       'SET4 (de Boer & Duisenberg, 1984)'
_computing_data_collection       'Locally modified CAD4-Version 5 Software'
_computing_data_reduction        'HELENA (Spek, 1997)'
_computing_molecular_graphics    DIRDIF-96
_computing_publication_material  'PLATON (Spek, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      150
_diffrn_measurement_device_type  CAD4T
_diffrn_measurement_method       omega-scan
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Rotating Anode'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0341
_diffrn_reflns_av_sigmaI/netI    0.0434
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            9347
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         1.68
_exptl_absorpt_coefficient_mu    10.68
_exptl_absorpt_correction_T_max  0.684
_exptl_absorpt_correction_T_min  0.219
_exptl_absorpt_process_details   PLATON/DELABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.367
_exptl_crystal_density_method    'Not Measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1280
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.14
_refine_diff_density_max         1.073
_refine_diff_density_min         -0.948
_refine_diff_density_rms         0.167
_refine_ls_abs_structure_details none
_refine_ls_abs_structure_Flack   none
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.014
_refine_ls_hydrogen_treatment    'H-atom refinement: see text '
_refine_ls_matrix_type           full
_refine_ls_number_parameters     195
_refine_ls_number_reflns         4493
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.014
_refine_ls_R_factor_all          0.0392
_refine_ls_R_factor_gt           0.0281
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0270P)^2^]         where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0576
_refine_ls_wR_factor_ref         0.0605
_reflns_number_gt                3758
_reflns_number_total             4493
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            om991043v.cif
_cod_data_source_block           s2150a
_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_sg_symbol_H-M      'P 21/c'
_cod_database_code               4077728