<i>catena</i>-Poly[[<i>cyclo</i>-tetra-μ-chlorotetracopper(I)]-bis{μ-3-[(2-morpholino-4-oxo-4,5-dihydro-1,3-thiazol-5-ylidene)methylphenoxy]propene}-2κ<i>N</i>,1'η^2^;1η^2^,2'κ<i>N</i>]
Goreshnik, Evgeny; Karpyak, Volodymyr; Mys'kiv, Marian; Acta Crystallographica Section C 61 (2005) m390–m392; doi:10.1107/S0108270105020299

data_2015081
_publ_section_title
<i>catena</i>-Poly[[<i>cyclo</i>-tetra-\m-chlorotetracopper(I)]-bis{\m-3-[(2-morpholino-4-oxo-4,5-dihydro-1,3-thiazol-5-ylidene)methylphenoxy]propene}-2\k<i>N</i>,1'\h^2^;1\h^2^,2'\k<i>N</i>]
_journal_coeditor_code           SQ1213
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m390
_journal_page_last               m392
_journal_paper_doi               10.1107/S0108270105020299
_journal_volume                  61
_journal_year                    2005
_chemical_formula_iupac          '[Cu4 Cl4 (C17 H18 N2 O3 S)2]'
_chemical_formula_moiety         'C34 H36 Cl4 Cu4 N4 O6 S2'
_chemical_formula_sum            'C34 H36 Cl4 Cu4 N4 O6 S2'
_chemical_formula_weight         1056.8
_chemical_name_systematic
catena-Poly[[cyclo-tetra-\m-chloro-tetracopper(I)]-bis{3-[(2-morpholino-4-oxo-4,5-dihydro-1,3-thiazol-5-ylidene)methylphenoxy]propene}-2\kN,1\h^2^;1'\h^2^,2'\kN]
_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
_cell_angle_alpha                81.47(2)
_cell_angle_beta                 86.40(2)
_cell_angle_gamma                65.79(2)
_cell_formula_units_Z            1
_cell_length_a                   8.7940(4)
_cell_length_b                   9.2890(4)
_cell_length_c                   12.7670(13)
_cell_measurement_reflns_used    55
_cell_measurement_temperature    200
_cell_measurement_theta_max      29.1292
_cell_measurement_theta_min      1.6123
_cell_volume                     940.66(19)
_computing_cell_refinement       CrystalClear
_computing_data_collection       'CrystalClear (Rigaku Corporation, 1999)'
_computing_data_reduction        CrystalClear
_computing_molecular_graphics    'ORTEP-3 (Farrugia, 1997)'
_computing_publication_material
;
enCIFer (Version 1.1; Allen <i>et al.</i>, 2004), teXsan (Molecular
Structure  Corporation,  1999) and WinGX (Farrugia, 1999)
;
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR92 (Altomare <i>et al.</i>, 1994)'
_diffrn_ambient_temperature      200.0000
_diffrn_detector_area_resol_mean 14.7059
_diffrn_measured_fraction_theta_full 0.902
_diffrn_measured_fraction_theta_max 0.737
_diffrn_measurement_device
;
Mercury CCD (2x2 bin mode)
;
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  'Graphite Monochromator'
_diffrn_radiation_source         'Sealed Tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.0150
_diffrn_reflns_limit_h_max       5
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            4221
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         29.1292
_diffrn_reflns_theta_min         1.6123
_exptl_absorpt_coefficient_mu    2.677
_exptl_absorpt_correction_T_max  0.95
_exptl_absorpt_correction_T_min  0.814
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Blessing, 1995)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.865
_exptl_crystal_density_meas      1.9
_exptl_crystal_density_method    'flotation in chloroform--bromoform mixture'
_exptl_crystal_description       prism
_exptl_crystal_F_000             532
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.02
_refine_diff_density_max         1.450
_refine_diff_density_min         -0.791
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.060
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     262
_refine_ls_number_reflns         3719
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.060
_refine_ls_R_factor_all          0.0816
_refine_ls_R_factor_gt           0.0548
_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^)+(0.0577P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1265
_refine_ls_wR_factor_ref         0.1614
_reflns_number_gt                2552
_reflns_number_total             3730
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            sq1213.cif
_cod_data_source_block           I
_cod_database_code               2015081
_cod_database_fobs_code          2015081