The First Homologous Series of Self-Assembled Aryl Bromo- and Aryl Cyanocuprates, -Argentates, and -Aurates; MLi~2~XAr~2~ (M = CuI, AgI, AuI; X = Br, C\τbN; Ar = [C~6~H~4~CH~2~N(Et)CH~2~CH~2~NEt~2~]-2)
Claudia M. P. Kronenburg; Johann T. B. H. Jastrzebski; Jaap Boersma; Martin Lutz; Anthony L. Spek; Gerard van Koten; Journal of the American Chemical Society 124 (2002) 11675–11683; doi:10.1021/ja026945t

data_4115174
_publ_contact_author_address
; Bijvoet Center for Biomolecular Research
  Dep. Crystal and Structural Chemistry
  Utrecht University
  Padualaan 8
  3584 CH Utrecht
  The Netherlands
;
_publ_contact_author_email       m.lutz@chem.uu.nl
_publ_contact_author_fax         '[+31] 30 2533940'
_publ_contact_author_name        'Martin Lutz'
_publ_contact_author_phone       '[+31] 30 2533902'
_publ_section_title
;
 The First Homologous Series of Self-Assembled Aryl Bromo- and Aryl
 Cyanocuprates, -Argentates, and -Aurates; MLi~2~XAr~2~ (M = CuI, AgI,
 AuI; X = Br, C\\tbN; Ar = [C~6~H~4~CH~2~N(Et)CH~2~CH~2~NEt~2~]-2)
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              11675
_journal_page_last               11683
_journal_paper_doi               10.1021/ja026945t
_journal_volume                  124
_journal_year                    2002
_chemical_formula_moiety         'C30 H50 Ag1.05 Br Li1.95 N4'
_chemical_formula_sum            'C30 H50 Ag1.05 Br Li1.95 N4'
_chemical_formula_weight         673.70
_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'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     heavy
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 107.7146(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.6609(3)
_cell_length_b                   31.2622(8)
_cell_length_c                   8.5488(2)
_cell_measurement_temperature    125(2)
_cell_volume                     3223.24(14)
_computing_cell_refinement       'DENZO 1.11.0'
_computing_data_collection       'Nonius COLLECT'
_computing_data_reduction        'DENZO 1.11.0'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'DIRDIF-97 (Beurskens et al., 1997)'
_diffrn_ambient_temperature      125(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0556
_diffrn_reflns_av_sigmaI/netI    0.0651
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       40
_diffrn_reflns_limit_k_min       -37
_diffrn_reflns_limit_l_max       6
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            24973
_diffrn_reflns_theta_full        27.47
_diffrn_reflns_theta_max         27.47
_diffrn_reflns_theta_min         1.30
_exptl_absorpt_coefficient_mu    1.920
_exptl_absorpt_correction_T_max  0.91
_exptl_absorpt_correction_T_min  0.82
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.388
_exptl_crystal_description       needle
_exptl_crystal_F_000             1393
_exptl_crystal_size_max          0.51
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.06
_refine_diff_density_max         1.201
_refine_diff_density_min         -0.771
_refine_diff_density_rms         0.105
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    constraint
_refine_ls_matrix_type           full
_refine_ls_number_parameters     351
_refine_ls_number_reflns         7340
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.045
_refine_ls_R_factor_all          0.0734
_refine_ls_R_factor_gt           0.0448
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0367P)^2^+3.9377P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0938
_refine_ls_wR_factor_ref         0.1056
_reflns_number_gt                5417
_reflns_number_total             7340
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ja026945t_s1_1.cif
_cod_data_source_block           s2223a
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4115174