A heteroleptic tetranuclear copper amide/aryl complex: 1,4:2,3-bis(μ-2,4,6-trimethylphenyl-<i>C</i>,<i>C</i>)-1,2:3,4-bis[μ-bis(trimethylsilyl)amido-<i>N</i>,<i>N</i>]tetracopper(I)
Niemeyer, Mark; Acta Crystallographica Section E 57 (2001) m491–m493; doi:10.1107/S1600536801015550

data_2200800
_publ_section_title
;A heteroleptic tetranuclear copper amide/aryl complex:
 1,4:2,3-bis(\m-2,4,6-trimethylphenyl-<i>C</i>,<i>C</i>)-1,2:3,4-bis[\m-bis(trimethylsilyl)amido-<i>N</i>,<i>N</i>]tetracopper(I)
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m491
_journal_page_last               m493
_journal_paper_doi               10.1107/S1600536801015550
_journal_volume                  57
_journal_year                    2001
_chemical_formula_iupac          '[Cu4 (C9 H11)2 (C6 H18 N Si2)2]'
_chemical_formula_moiety         'C30 H58 Cu4 N2 Si4'
_chemical_formula_sum            'C30 H58 Cu4 N2 Si4'
_chemical_formula_weight         813.30
_chemical_melting_point          466.0(10)
_chemical_name_systematic
;
1,4:2,3-bis(\m-2,4,6-trimethylphenyl-C:C)-1,2:3,4-bis[\m-
bis(trimethylsilyl)amido-N:N]tetracopper(I)
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_method           SHELXL-97
_cell_angle_alpha                101.980(10)
_cell_angle_beta                 94.56(2)
_cell_angle_gamma                107.28(2)
_cell_formula_units_Z            2
_cell_length_a                   9.171(2)
_cell_length_b                   11.353(2)
_cell_length_c                   20.314(4)
_cell_measurement_reflns_used    39
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      12.2
_cell_measurement_theta_min      10.3
_cell_volume                     1952.9(7)
_computing_cell_refinement       P3
_computing_data_collection       'P3 (Siemens, 1989)'
_computing_data_reduction        'XDISK (Siemens, 1989)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 1998)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full .999
_diffrn_measured_fraction_theta_max .999
_diffrn_measurement_device_type  'Rebuild Syntex P2~1~/Siemens P3 four-circle'
_diffrn_measurement_method       'Wyckoff scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .025
_diffrn_reflns_av_sigmaI/netI    .022
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            9068
_diffrn_reflns_theta_full        27.0
_diffrn_reflns_theta_max         27.0
_diffrn_reflns_theta_min         1.9
_diffrn_standards_decay_%        2
_diffrn_standards_interval_count 198
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    2.29
_exptl_absorpt_correction_T_max  .602
_exptl_absorpt_correction_T_min  .423
_exptl_absorpt_correction_type   '\y scan'
_exptl_absorpt_process_details   '(North et al., 1968)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.383
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             848
_exptl_crystal_size_max          .60
_exptl_crystal_size_mid          .45
_exptl_crystal_size_min          .30
_refine_diff_density_max         .74
_refine_diff_density_min         -.95
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.07
_refine_ls_hydrogen_treatment    refU
_refine_ls_matrix_type           full
_refine_ls_number_parameters     433
_refine_ls_number_reflns         8527
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.07
_refine_ls_R_factor_all          .047
_refine_ls_R_factor_gt           .037
_refine_ls_shift/su_max          .001
_refine_ls_shift/su_mean         <0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0587P)^2^+1.1813P] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         .101
_reflns_number_gt                7199
_reflns_number_total             8527
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ya6061.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value '465-467 K' was changed to
'466.0(10)' - the average value was taken and precision was
estimated.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 

The following automatic conversions were performed:

'_chemical_melting_point' value '465-467 K' was changed to
'466.0(10)' - the average value was taken and precision was
estimated.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_database_code               2200800
_cod_database_fobs_code          2200800