Thermally Robust Gold and Silver Iminopyrrolidinates for Chemical Vapor Deposition of Metal Films
Coyle, Jason P.; Gordon, Peter G.; Wells, Adam P.; Mandia, David J.; Sirianni, Eric R.; Yap, Glenn P. A.; Barry, Se T.; Chemistry of Materials 25 (2013) 4566–; doi:10.1021/cm402658c

data_4001844
_publ_section_title
;
 Thermally Robust Gold and Silver Iminopyrrolidinates for Chemical Vapor
 Deposition of Metal Films
;
_journal_issue                   22
_journal_name_full               'Chemistry of Materials'
_journal_page_first              4566
_journal_paper_doi               10.1021/cm402658c
_journal_volume                  25
_journal_year                    2013
_chemical_formula_sum            'C20 H38 Au2 N4'
_chemical_formula_weight         728.47
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2013
_cell_angle_alpha                90
_cell_angle_beta                 106.605(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.1692(14)
_cell_length_b                   9.7129(13)
_cell_length_c                   12.0353(17)
_cell_measurement_reflns_used    8976
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      27.57
_cell_measurement_theta_min      2.74
_cell_volume                     1139.2(3)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      200(2)
_diffrn_detector_area_resol_mean 8.33
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker AXS APEX diffractometer'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0226
_diffrn_reflns_av_unetI/netI     0.0150
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            14481
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         27.567
_diffrn_reflns_theta_min         2.090
_exptl_absorpt_coefficient_mu    12.875
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.5361
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'APEX2 (Bruker, 2007)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.124
_exptl_crystal_description       block
_exptl_crystal_F_000             688
_exptl_crystal_size_max          0.195
_exptl_crystal_size_mid          0.190
_exptl_crystal_size_min          0.079
_refine_diff_density_max         0.719
_refine_diff_density_min         -0.689
_refine_diff_density_rms         0.085
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     123
_refine_ls_number_reflns         2642
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.039
_refine_ls_R_factor_all          0.0153
_refine_ls_R_factor_gt           0.0141
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
; 
 w=1/[\s^2^(Fo^2^)+(0.0150P)^2^+1.2753P] 
 where P=(Fo^2^+2Fc^2^)/3 
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0335
_refine_ls_wR_factor_ref         0.0343
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2519
_reflns_number_total             2642
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            cm402658c_si_005.cif
_cod_data_source_block           seab064
_cod_database_code               4001844
_shelx_estimated_absorpt_t_min   0.188
_shelx_estimated_absorpt_t_max   0.429
_shelxl_version_number           2013-2
_shelx_res_checksum              35859
_shelx_hkl_checksum              44898