Mixed-Metal Complexes Incorporating Platinum and Lanthanide Centers for Selective Binding and Chirality Sensing of Succinates
Satoshi Shinoda; Akihiko Mizote; Miyuki Eiraku Masaki; Minoru Yoneda; Hiroyuki Miyake; Hiroshi Tsukube; Inorganic Chemistry 50 (2011) 5876–5878; doi:10.1021/ic200853u

data_4325566
_publ_contact_author_address
;
Department of Chemistry
Graduate School of Science
Osaka City University
3-3-138 Sugimoto, Sumiyoshi-ku, 
Osaka 558-8585, Japan
;
_publ_contact_author_name        'Prof. Satoshi Shinoda'
_publ_section_title
;
 Mixed-Metal Complexes Incorporating Platinum and Lanthanide Centers for
 Selective Binding and Chirality Sensing of Succinates
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5876
_journal_page_last               5878
_journal_paper_doi               10.1021/ic200853u
_journal_volume                  50
_journal_year                    2011
_chemical_formula_moiety
'C60 H70 N16 O5 Lu Pt2, 7(C F3 S O3), 3(C2 H3 N), 2(H2 O)'
_chemical_formula_sum            'C77 H89 F21 Lu N21 O28 Pt2 S7'
_chemical_formula_weight         2945.26
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   23.667(5)
_cell_length_b                   36.452(8)
_cell_length_c                   25.393(5)
_cell_measurement_reflns_used    41659
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.4835
_cell_measurement_theta_min      4.0033
_cell_volume                     21907(8)
_computing_cell_refinement       'CrystalClear (Rigaku Corp., 2000)'
_computing_data_collection       'CrystalClear (Rigaku Corp., 2000)'
_computing_data_reduction        'CrystalClear (Rigaku Corp., 2000)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR2004 (Burla et al., 2004)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.974
_diffrn_measured_fraction_theta_max 0.974
_diffrn_measurement_device
;
Mercury CCD (2x2 bin mode)
;
_diffrn_radiation_detector       CCD
_diffrn_radiation_monochromator  'Graphite Monochromator'
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.0585
_diffrn_reflns_av_sigmaI/netI    0.0427
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -47
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            127920
_diffrn_reflns_theta_full        27.47
_diffrn_reflns_theta_max         27.47
_diffrn_reflns_theta_min         4.01
_exptl_absorpt_coefficient_mu    3.691
_exptl_absorpt_correction_T_max  0.7091
_exptl_absorpt_correction_T_min  0.4039
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   '(HIGASHI, T., 1999)'
_exptl_crystal_colour            'Light Yellow'
_exptl_crystal_density_diffrn    1.786
_exptl_crystal_description       Prism
_exptl_crystal_F_000             11600
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         4.055
_refine_diff_density_min         -1.720
_refine_diff_density_rms         0.172
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.191
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1476
_refine_ls_number_reflns         24465
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.191
_refine_ls_R_factor_all          0.0823
_refine_ls_R_factor_gt           0.0735
_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^)+(0.0042P)^2^+342.1085P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1372
_refine_ls_wR_factor_ref         0.1407
_reflns_number_gt                22294
_reflns_number_total             24465
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic200853u_si_001.cif
_cod_data_source_block           2a
_cod_original_cell_volume        21906(8)
_cod_database_code               4325566