Face-driven octanuclear cerium(IV) luminescence polyhedra: synthesis and luminescent sensing natural saccharides
Liang Zhao; Cheng He; Rong Zhang; Chun-ying Duan; Chem.Commun. 47 (2011) 9387–; doi:10.1039/c1cc12766g

data_7106760
_publ_section_title
;
 Face-driven octanuclear cerium(IV) luminescence polyhedra: synthesis and
 luminescent sensing natural saccharides
;
_journal_name_full               Chem.Commun.
_journal_page_first              9387
_journal_paper_doi               10.1039/c1cc12766g
_journal_volume                  47
_journal_year                    2011
_chemical_formula_sum            'C358 H399 Ce8 N75 O93'
_chemical_formula_weight         8361.48
_chemical_name_systematic
;
?
;
_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                78.508(3)
_cell_angle_beta                 85.923(3)
_cell_angle_gamma                85.565(3)
_cell_formula_units_Z            1
_cell_length_a                   21.7244(11)
_cell_length_b                   23.0038(12)
_cell_length_c                   26.0496(12)
_cell_measurement_temperature    180(2)
_cell_volume                     12698.3(11)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      180(2)
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and 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  0.1283
_diffrn_reflns_av_sigmaI/netI    0.2475
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            87927
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.63
_exptl_absorpt_coefficient_mu    0.769
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.093
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             4280
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.28
_refine_diff_density_max         0.794
_refine_diff_density_min         -1.117
_refine_diff_density_rms         0.117
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.911
_refine_ls_hydrogen_treatment    'riding mode'
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2197
_refine_ls_number_reflns         43935
_refine_ls_number_restraints     415
_refine_ls_restrained_S_all      0.916
_refine_ls_R_factor_all          0.1942
_refine_ls_R_factor_gt           0.0768
_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^)+(0.0500P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1823
_refine_ls_wR_factor_ref         0.2045
_reflns_number_gt                15028
_reflns_number_total             43935
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1cc12766g.txt
_cod_data_source_block           ce2
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7106760