Polyacidic multiloading metal extractants.
Gordon, Ross J; Campbell, John; Henderson, David K; Henry, Dorothy C R; Swart, Ronald M; Tasker, Peter A; White, Fraser J; Wood, Jenny L; Yellowlees, Lesley J; Chemical communications (Cambridge, England)  (2008) 4801–4803; doi:10.1039/b810610j

data_7103402
_publ_section_title
;
 Polyacidic multiloading metal extractants.
;
_journal_issue                   39
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              4801
_journal_page_last               4803
_journal_paper_doi               10.1039/b810610j
_journal_year                    2008
_chemical_compound_source        'Ross Gordon'
_chemical_formula_moiety         '[Cu2 2(C13 H16 N2 O2)], 2(C H Cl3)'
_chemical_formula_sum            'C28 H34 Cl6 Cu2 N4 O4'
_chemical_formula_weight         830.37
_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                98.853(4)
_cell_angle_beta                 94.933(4)
_cell_angle_gamma                103.343(4)
_cell_formula_units_Z            1
_cell_length_a                   5.9794(3)
_cell_length_b                   9.9352(5)
_cell_length_c                   15.3792(9)
_cell_measurement_temperature    150(2)
_cell_volume                     871.33(8)
_computing_molecular_graphics    Shelxp
_computing_publication_material  'Platon, encifer'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'Shelxs Sheldrick'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker Smart Apex CCD'
_diffrn_measurement_method       'Sphere (Omega Scans)'
_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  0.0675
_diffrn_reflns_av_sigmaI/netI    0.0761
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            8149
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         1.35
_exptl_absorpt_coefficient_mu    1.719
_exptl_absorpt_correction_T_max  0.9318
_exptl_absorpt_correction_T_min  0.6911
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS 2007/2'
_exptl_crystal_colour            Green
_exptl_crystal_density_diffrn    1.582
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Needle
_exptl_crystal_F_000             422
_exptl_crystal_recrystallization_method 'Evaporation of chloroform solution'
_exptl_crystal_size_max          0.54
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.053
_refine_diff_density_min         -1.163
_refine_diff_density_rms         0.150
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.303
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     199
_refine_ls_number_reflns         3052
_refine_ls_number_restraints     7
_refine_ls_restrained_S_all      1.302
_refine_ls_R_factor_all          0.1073
_refine_ls_R_factor_gt           0.0957
_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^)+(0.0515P)^2^+6.3537P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2042
_refine_ls_wR_factor_ref         0.2094
_reflns_number_gt                2750
_reflns_number_total             3052
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b810610j.txt
_cod_data_source_block           pt7052
_cod_database_code               7103402