Di-μ-chloro-1:2κ^2^<i>Cl</i>;3:4κ^2^<i>Cl</i>-hexachloro-1κ^3^<i>Cl</i>,4κ^3^<i>Cl</i>-tetra-μ-dimethylglycine-2:3κ^8^<i>O</i>:<i>O</i>'-tetracopper(II)
Ramos Silva, M.; Matos Beja, A.; Paixão, J. A.; Martin-Gil, J.; Acta Crystallographica Section C 61 (2005) m380–m382; doi:10.1107/S0108270105021591

data_2014966
_publ_section_title
Di-\m-chloro-1:2\k^2^<i>Cl</i>;3:4\k^2^<i>Cl</i>-hexachloro-1\k^3^<i>Cl</i>,4\k^3^<i>Cl</i>-tetra-\m-dimethylglycine-2:3\k^8^<i>O</i>:<i>O</i>'-tetracopper(II)
_journal_coeditor_code           BG1009
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m380
_journal_page_last               m382
_journal_paper_doi               10.1107/S0108270105021591
_journal_volume                  61
_journal_year                    2005
_chemical_formula_iupac          '[Cu4 Cl8 (C4 H9 N O2)4]'
_chemical_formula_moiety         'C16 H36 Cl8 Cu4 N4 O8'
_chemical_formula_sum            'C16 H36 Cl8 Cu4 N4 O8'
_chemical_formula_weight         950.25
_chemical_name_systematic
;
Octachloro-1\k^4^Cl,4\k^4^Cl-tetra-\m-dimethylglycine-2:3\k^8^O:O'-
tetracopper(II)]
;
_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     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL97
_cell_angle_alpha                90.00
_cell_angle_beta                 99.20(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   9.7590(10)
_cell_length_b                   12.8610(10)
_cell_length_c                   14.0600(10)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      15.93
_cell_measurement_theta_min      9.90
_cell_volume                     1742.0(3)
_computing_cell_refinement       'CAD-4 Software'
_computing_data_collection       'CAD-4 Software (Enraf--Nonius, 1989)'
_computing_data_reduction        'PLATON (Spek, 2003)'
_computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Enraf--Nonius CAD-4'
_diffrn_measurement_method       'profile data from \w/2\q'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0300
_diffrn_reflns_av_sigmaI/netI    0.0153
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            3266
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         3.17
_diffrn_standards_decay_%        4.1
_diffrn_standards_interval_time  180
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    3.064
_exptl_absorpt_correction_T_max  0.303
_exptl_absorpt_correction_T_min  0.202
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North <i>et al.</i>, 1968)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.812
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             952
_exptl_crystal_size_max          0.49
_exptl_crystal_size_mid          0.46
_exptl_crystal_size_min          0.39
_refine_diff_density_max         0.483
_refine_diff_density_min         -0.430
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.089
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     191
_refine_ls_number_reflns         3075
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.089
_refine_ls_R_factor_all          0.0351
_refine_ls_R_factor_gt           0.0235
_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^)+(0.0325P)^2^+1.4695P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0581
_refine_ls_wR_factor_ref         0.0635
_reflns_number_gt                2625
_reflns_number_total             3075
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bg1009.cif
_cod_data_source_block           I
_cod_original_cell_volume        1741.8(3)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2014966
_cod_database_fobs_code          2014966