Novel Biomimetic Calix[6]arene-Based Copper(II) Complexes
Loïc Le Clainche; Michel Giorgi; Olivia Reinaud; Inorganic Chemistry 39 (2000) 3436–3437; doi:10.1021/ic000072r

data_4321198
_publ_section_title
;
 Novel Biomimetic Calix[6]arene-Based Copper(II) Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3436
_journal_page_last               3437
_journal_paper_doi               10.1021/ic000072r
_journal_volume                  39
_journal_year                    2000
_chemical_compound_source        'Local laboratory'
_chemical_formula_sum            'C92 H128 Cl2 Cu N8 O17'
_chemical_formula_weight         1752.53
_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_type_scat_source
'D.Waasmaier&A.Kirfel,Acta Cryst.1995,A51, 416-431'
_cell_angle_alpha                90.0
_cell_angle_beta                 94.020(1)
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   22.4668(4)
_cell_length_b                   16.3840(4)
_cell_length_c                   26.6089(5)
_cell_measurement_reflns_used    46798
_cell_measurement_temperature    298
_cell_measurement_theta_max      25
_cell_measurement_theta_min      1
_cell_volume                     9770.5(3)
_computing_data_collection       KappaCCD
_computing_data_reduction        maXus
_computing_molecular_graphics    maXus
_computing_publication_material  maXus
_computing_structure_refinement  maXus
_computing_structure_solution    maXus
_diffrn_measurement_device       KappaCCD
_diffrn_radiation_type           xray
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            19525
_diffrn_reflns_theta_max         25.41
_exptl_absorpt_coefficient_mu    3.39
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.49
_exptl_crystal_density_meas      1.25
_exptl_crystal_description       prism
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.2
_refine_diff_density_max         0.99
_refine_diff_density_min         -0.74
_refine_ls_extinction_method     None
_refine_ls_goodness_of_fit_obs   3.927
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     1093
_refine_ls_number_reflns         13976
_refine_ls_R_factor_obs          0.075
_refine_ls_shift/esd_max         0.0718
_refine_ls_shift/esd_mean        0.0039
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      'Count statistics'
_refine_ls_wR_factor_obs         0.118
_reflns_number_observed          13976
_reflns_number_total             18827
_reflns_observed_criterion       refl_observed_if_I_>_3.00_sigma(I)
_cod_data_source_file            ic000072r.cif
_cod_data_source_block           ll307
_cod_original_cell_volume        9770.5(6)
_cod_original_sg_symbol_H-M      'P 21/c '
_cod_original_formula_sum        'C92 H128 Cu1 Cl2 O17 N8'
_cod_database_code               4321198