Synthesis, Structure, and Photoelectronic Effects of a Uranium-Zinc-Organic Coordination Polymer Containing Infinite Metal Oxide Sheets
Wei Chen; Hong-Ming Yuan; Jia-Yu Wang; Zhao-Yue Liu; Jin-Jie Xu; Min Yang; Jie-Sheng Chen; Journal of the American Chemical Society 125 (2003) 9266–9267; doi:10.1021/ja035388n

data_4114032
_publ_section_title
;
 Synthesis, Structure, and Photoelectronic Effects of a
 Uranium-Zinc-Organic Coordination Polymer Containing Infinite Metal Oxide
 Sheets
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              9266
_journal_page_last               9267
_journal_paper_doi               10.1021/ja035388n
_journal_volume                  125
_journal_year                    2003
_chemical_formula_sum            'C14 H11 N2 O10 U1.5 Zn'
_chemical_formula_weight         789.66
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_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                 100.274(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   14.1221(6)
_cell_length_b                   14.6697(6)
_cell_length_c                   17.6379(8)
_cell_measurement_temperature    293(2)
_cell_volume                     3595.4(3)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    SHELXP-97
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.952
_diffrn_measured_fraction_theta_max 0.952
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       '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  0.0408
_diffrn_reflns_av_sigmaI/netI    0.0500
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            14104
_diffrn_reflns_theta_full        29.98
_diffrn_reflns_theta_max         29.98
_diffrn_reflns_theta_min         1.17
_exptl_absorpt_coefficient_mu    14.873
_exptl_absorpt_correction_T_max  0.3282
_exptl_absorpt_correction_T_min  0.1718
_exptl_absorpt_correction_type   SADABS
_exptl_crystal_colour            Greenish_yellow
_exptl_crystal_density_diffrn    2.918
_exptl_crystal_description       Clubbed
_exptl_crystal_F_000             2856
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.08
_refine_diff_density_max         2.027
_refine_diff_density_min         -1.645
_refine_diff_density_rms         0.342
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.992
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     289
_refine_ls_number_reflns         5171
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.992
_refine_ls_R_factor_all          0.0474
_refine_ls_R_factor_gt           0.0284
_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^)+(0.0366P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0574
_refine_ls_wR_factor_ref         0.0776
_reflns_number_gt                3964
_reflns_number_total             5171
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja035388nsi20030331_101530.cif
_cod_data_source_block           sad
_cod_original_formula_sum        'C14 H11 N2 O10 U1.50 Zn'
_cod_database_code               4114032