Asymmetric dinuclear copper(I) complexes of bis-(2-(2-pyridyl)ethyl)-2-(N-toluenesulfonylamino)ethylamine with short copper-copper distances.
Goodwin, Jocelyn M.; Chiang, Pin-Chieh; Brynda, Marcin; Penkina, Katerina; Olmstead, Marilyn M.; Patten, Timothy E.; Dalton transactions (Cambridge, England : 2003)  (2007) 3086–3092; doi:10.1039/b705684b

data_7005820
_publ_section_title
;
 Asymmetric dinuclear copper(I) complexes of
 bis-(2-(2-pyridyl)ethyl)-2-(N-toluenesulfonylamino)ethylamine with
 short copper-copper distances.
;
_journal_issue                   28
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3086
_journal_page_last               3092
_journal_paper_doi               10.1039/b705684b
_journal_year                    2007
_chemical_formula_moiety         'C23 H27 Cl Cu2 N4 O3 S'
_chemical_formula_sum            'C23 H27 Cl Cu2 N4 O3 S'
_chemical_formula_weight         602.08
_chemical_name_common            'Cu(PEMAEA)CuCl Compound 2'
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                92.187(8)
_cell_angle_beta                 91.981(9)
_cell_angle_gamma                108.049(8)
_cell_formula_units_Z            2
_cell_length_a                   9.5617(12)
_cell_length_b                   9.9875(10)
_cell_length_c                   13.4720(12)
_cell_measurement_reflns_used    50
_cell_measurement_temperature    133(2)
_cell_measurement_theta_max      30.0
_cell_measurement_theta_min      5.6
_cell_volume                     1220.9(2)
_computing_cell_refinement       'Siemens P3/Pc'
_computing_data_collection       'Siemens P3/Pc'
_computing_data_reduction        'Siemens XDISK'
_computing_molecular_graphics    'SHELXTL 5.1, XP (Sheldrick, 1994)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      133(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Siemens P4'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  'nickel filter'
_diffrn_radiation_source         'Siemens rotating anode'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0479
_diffrn_reflns_av_sigmaI/netI    0.0315
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -2
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            4351
_diffrn_reflns_theta_full        56.09
_diffrn_reflns_theta_max         56.09
_diffrn_reflns_theta_min         3.29
_diffrn_standards_decay_%        1.2
_diffrn_standards_interval_count 197
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    4.233
_exptl_absorpt_correction_T_max  0.7282
_exptl_absorpt_correction_T_min  0.2003
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details
;XABS2, Parkin, S., Moezzi, B. and Hope, H. J. Appl. Crystallogr. 28 (1995)
53-56.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.638
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             616
_exptl_crystal_size_max          0.56
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.642
_refine_diff_density_min         -1.446
_refine_diff_density_rms         0.181
_refine_ls_extinction_coef       0.0086(10)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.108
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     309
_refine_ls_number_reflns         3203
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.108
_refine_ls_R_factor_all          0.0643
_refine_ls_R_factor_gt           0.0628
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1298P)^2^+1.3756P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1676
_refine_ls_wR_factor_ref         0.1700
_reflns_number_gt                3044
_reflns_number_total             3203
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            b705684b.txt
_cod_data_source_block           mn1588
_cod_database_code               7005820