Competitive bulk liquid membrane transport of some metal ions using RC(S)NHP(S)(OiPr)2 as ionophores. Unusual supramolecular “honeycomb” aggregate of the polynuclear copper(I) complex of H2NC(S)NHP(S)(OiPr)2
Luckay, R. C.; Sheng, X.; Strasser, C. E.; Raubenheimer, H. G.; Safin, D. A.; Babashkina, M. G.; Klein, A.; Dalton Transactions  (2009) 4646–4652; doi:10.1039/b904114a

data_7001469
_publ_section_title
;
 Competitive bulk liquid membrane transport of some metal ions using
 RC(S)NHP(S)(OiPr)2 as ionophores. Unusual supramolecular
 &#x201C;honeycomb&#x201D; aggregate of the polynuclear copper(I)
 complex of H2NC(S)NHP(S)(OiPr)2
;
_journal_issue                   24
_journal_name_full               'Dalton Transactions'
_journal_page_first              4646
_journal_page_last               4652
_journal_paper_doi               10.1039/b904114a
_journal_year                    2009
_chemical_formula_sum            'C54 H120 Cu6 N12 O16 P6 S12'
_chemical_formula_weight         2145.40
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_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                115.492(2)
_cell_angle_beta                 95.355(2)
_cell_angle_gamma                111.707(2)
_cell_formula_units_Z            2
_cell_length_a                   16.488(2)
_cell_length_b                   18.705(2)
_cell_length_c                   19.593(3)
_cell_measurement_temperature    100(2)
_cell_volume                     4832.4(11)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.987
_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  0.0497
_diffrn_reflns_av_sigmaI/netI    0.0659
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            52808
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         26.56
_diffrn_reflns_theta_min         1.39
_exptl_absorpt_coefficient_mu    1.712
_exptl_crystal_density_diffrn    1.474
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2224
_refine_diff_density_max         1.580
_refine_diff_density_min         -0.690
_refine_diff_density_rms         0.119
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.121
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     982
_refine_ls_number_reflns         19905
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.121
_refine_ls_R_factor_all          0.0872
_refine_ls_R_factor_gt           0.0648
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0535P)^2^+10.7321P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1333
_refine_ls_wR_factor_ref         0.1418
_reflns_number_gt                15642
_reflns_number_total             19905
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b904114a.txt
_cod_data_source_block           c:\docume~1\winxp\desktop\summer\xsl4cu\xm
_cod_original_cell_volume        4832.5(11)
_cod_database_code               7001469