Metal-Controlled Assembly of Uranyl Diphosphonates toward the Design of Functional Uranyl Nanotubules
Pius O. Adelani; Thomas E. Albrecht-Schmitt; Inorganic Chemistry 50 (2011) 12184–12191; doi:10.1021/ic201945p

data_4327043
_publ_section_title
;
 Metal-Controlled Assembly of Uranyl Diphosphonates toward the Design of
 Functional Uranyl Nanotubules
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              12184
_journal_page_last               12191
_journal_paper_doi               10.1021/ic201945p
_journal_volume                  50
_journal_year                    2011
_chemical_formula_moiety         'C24 H16 F O17.66 P4 Rb2 U2'
_chemical_formula_sum            'C24 H16 F O17.66 P4 Rb2 U2'
_chemical_formula_weight         1376.81
_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                86.172(2)
_cell_angle_beta                 75.258(2)
_cell_angle_gamma                81.429(2)
_cell_formula_units_Z            2
_cell_length_a                   9.8504(14)
_cell_length_b                   10.6472(15)
_cell_length_c                   16.799(2)
_cell_measurement_reflns_used    9859
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.31
_cell_measurement_theta_min      2.16
_cell_volume                     1684.1(4)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  '\f and \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  0.0445
_diffrn_reflns_av_sigmaI/netI    0.0319
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            45294
_diffrn_reflns_theta_full        27.45
_diffrn_reflns_theta_max         27.45
_diffrn_reflns_theta_min         1.25
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    12.749
_exptl_absorpt_correction_T_max  0.7455
_exptl_absorpt_correction_T_min  0.5617
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SHELXPREP
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.715
_exptl_crystal_description       needles
_exptl_crystal_F_000             1257
_exptl_crystal_size_max          0.035
_exptl_crystal_size_mid          0.018
_exptl_crystal_size_min          0.013
_refine_diff_density_max         2.141
_refine_diff_density_min         -1.489
_refine_diff_density_rms         0.170
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     464
_refine_ls_number_reflns         7541
_refine_ls_number_restraints     318
_refine_ls_restrained_S_all      1.016
_refine_ls_R_factor_all          0.0334
_refine_ls_R_factor_gt           0.0256
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0190P)^2^+9.4680P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0542
_refine_ls_wR_factor_ref         0.0567
_reflns_number_gt                6566
_reflns_number_total             7541
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic201945p_si_002_1.cif
_cod_data_source_block           p-1
_cod_database_code               4327043