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_4327044
_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 Cs2 F O18 P4 U2'
_chemical_formula_sum            'C24 H16 Cs2 F O18 P4 U2'
_chemical_formula_weight         1477.05
_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                86.3640(10)
_cell_angle_beta                 77.7160(10)
_cell_angle_gamma                81.5500(10)
_cell_formula_units_Z            2
_cell_length_a                   9.9997(10)
_cell_length_b                   10.6653(10)
_cell_length_c                   17.1456(16)
_cell_measurement_reflns_used    9937
_cell_measurement_temperature    103(2)
_cell_measurement_theta_max      24.97
_cell_measurement_theta_min      2.25
_cell_volume                     1766.3(3)
_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      103(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w 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  0.0422
_diffrn_reflns_av_sigmaI/netI    0.0284
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            36099
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.22
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    11.450
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.5943
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SHELXPREP
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.777
_exptl_crystal_description       platelet
_exptl_crystal_F_000             1334
_exptl_crystal_size_max          0.088
_exptl_crystal_size_mid          0.031
_exptl_crystal_size_min          0.023
_refine_diff_density_max         2.337
_refine_diff_density_min         -0.985
_refine_diff_density_rms         0.154
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     480
_refine_ls_number_reflns         6216
_refine_ls_number_restraints     18
_refine_ls_restrained_S_all      1.024
_refine_ls_R_factor_all          0.0288
_refine_ls_R_factor_gt           0.0222
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0258P)^2^+4.6306P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0501
_refine_ls_wR_factor_ref         0.0528
_reflns_number_gt                5492
_reflns_number_total             6216
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic201945p_si_002_2.cif
_cod_data_source_block           p-1
_cod_database_code               4327044