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_7106761
_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            'C380 H382 Ce8 N62 O80'
_chemical_formula_weight         8218.44
_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                91.857(6)
_cell_angle_beta                 97.731(6)
_cell_angle_gamma                95.082(6)
_cell_formula_units_Z            2
_cell_length_a                   27.928(3)
_cell_length_b                   29.218(3)
_cell_length_c                   31.579(3)
_cell_measurement_temperature    180(2)
_cell_volume                     25408(5)
_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 0.997
_diffrn_measured_fraction_theta_max 0.997
_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  0.2098
_diffrn_reflns_av_sigmaI/netI    0.4784
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            153940
_diffrn_reflns_theta_full        22.50
_diffrn_reflns_theta_max         22.50
_diffrn_reflns_theta_min         1.78
_exptl_absorpt_coefficient_mu    0.765
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.074
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             8400
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.33
_refine_diff_density_max         0.843
_refine_diff_density_min         -0.363
_refine_diff_density_rms         0.100
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.906
_refine_ls_hydrogen_treatment    'riding mode'
_refine_ls_matrix_type           fullcycle
_refine_ls_number_parameters     5240
_refine_ls_number_reflns         66258
_refine_ls_number_restraints     3912
_refine_ls_restrained_S_all      0.893
_refine_ls_R_factor_all          0.3509
_refine_ls_R_factor_gt           0.1189
_refine_ls_shift/su_max          0.009
_refine_ls_shift/su_mean         0.004
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
; calc
[0.00000+1.00000exp(5.50(sin\q/\l)^2^)]/
[\s^2^(Fo^2^)+0.0000+0.0000*P+(0.0000P)^2^+0.0000sin\q/\l]
where P = 0.33333Fo^2^ + 0.66667Fc^2^
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2542
_refine_ls_wR_factor_ref         0.3634
_reflns_number_gt                11223
_reflns_number_total             66258
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1cc12766g.txt
_cod_data_source_block           ?
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7106761