Hybrid uranyl-vanadium nano-wheels
G. A. Senchyk; E. M. Wylie; S. Prizio; J. E. S. Szymanowski; G. E. Sigmon; P. C. Burns; Chem.Commun. 51 (2015) 10134–; doi:10.1039/C5cc01524C

data_7117287
_publ_section_title
;
 Hybrid uranyl-vanadium nano-wheels
;
_journal_name_full               Chem.Commun.
_journal_page_first              10134
_journal_paper_doi               10.1039/C5cc01524C
_journal_volume                  51
_journal_year                    2015
_chemical_formula_moiety         'U2 V16 O50, 8(C6 H11 N2), H2 O'
_chemical_formula_sum            'C48 H90 N16 O51 U2 V16'
_chemical_formula_weight         2998.46
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2015-02-19 deposited with the CCDC.
2015-05-14 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 112.886(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   23.656(4)
_cell_length_b                   14.981(2)
_cell_length_c                   27.970(4)
_cell_measurement_reflns_used    39230
_cell_measurement_temperature    140(2)
_cell_measurement_theta_max      26.69
_cell_measurement_theta_min      1.58
_cell_volume                     9132(2)
_computing_cell_refinement       'Bruker APEX2'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker APEX2'
_computing_molecular_graphics    'Diamond 2.1e (Brandendurg, 1999)'
_computing_publication_material  'WinGX v2013.3 (Farrugia, 2012)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXL-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      140(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker ApexII CCD'
_diffrn_measurement_method       '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  0.0616
_diffrn_reflns_av_sigmaI/netI    0.0563
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            39230
_diffrn_reflns_theta_full        26.69
_diffrn_reflns_theta_max         26.69
_diffrn_reflns_theta_min         1.58
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    5.185
_exptl_absorpt_correction_T_max  0.9034
_exptl_absorpt_correction_T_min  0.7815
_exptl_absorpt_correction_type   semiempirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    2.181
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             5800
_exptl_crystal_size_max          0.05
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.02
_refine_diff_density_max         2.791
_refine_diff_density_min         -1.637
_refine_diff_density_rms         0.245
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.101
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     612
_refine_ls_number_reflns         9580
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.101
_refine_ls_R_factor_all          0.0867
_refine_ls_R_factor_gt           0.0636
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0688P)^2^+305.8080P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1580
_refine_ls_wR_factor_ref         0.1710
_reflns_number_gt                7571
_reflns_number_total             9580
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5cc01524c2.cif
_cod_data_source_block           3
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7117287