Poly[(μ~2~-2-hydroxy-2-methylpropionato-κ^3^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^)(μ~2~-2-hydroxy-2-methylpropionato-κ^2^<i>O</i>^1^:κ<i>O</i>^1'^)dioxidouranium(VI)]
Yoshimura, Takashi; Kikunaga, Hidetoshi; Shinohara, Atsushi; Acta Crystallographica Section E 65 (2009) m355–m356; doi:10.1107/S1600536809006059

data_2221450
_publ_section_title
Poly[(\m~2~-2-hydroxy-2-methylpropionato-\k^3^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^)(\m~2~-2-hydroxy-2-methylpropionato-\k^2^<i>O</i>^1^:\k<i>O</i>^1'^)dioxidouranium(VI)]
_journal_coeditor_code           NG2546
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m355
_journal_page_last               m356
_journal_paper_doi               10.1107/S1600536809006059
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          '[U (C4 H7 O3)2 O2]'
_chemical_formula_moiety         'C8 H14 O8 U'
_chemical_formula_sum            'C8 H14 O8 U'
_chemical_formula_weight         476.22
_chemical_name_systematic
;
Poly[(\m~2~-2-hydroxy-2-methylpropionato-
\k^3^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^)(\m~2~-2-hydroxy-2-
methylpropionato-\k^2^<i>O</i>^1^:\k<i>O</i>^1'^)dioxidouranium(VI)]
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90
_cell_angle_beta                 98.246(9)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.009(2)
_cell_length_b                   8.237(2)
_cell_length_c                   17.552(6)
_cell_measurement_reflns_used    8716
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     1289.0(6)
_computing_cell_refinement       'PROCESS-AUTO (Rigaku, 1998)'
_computing_data_collection       'PROCESS-AUTO (Rigaku, 1998)'
_computing_data_reduction        'TEXSAN (Rigaku/MSC, 2004)'
_computing_molecular_graphics
'ORTEP-3 (Farrugia, 1997) and <i>Mercury</i> (Macrae <i>et al.</i>,  2006)'
_computing_publication_material  'TEXSAN (Rigaku/MSC, 2004)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR92 (Altomare <i>et al.</i>,  1994)'
_diffrn_ambient_temperature      200(2)
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 1.0
_diffrn_measured_fraction_theta_max 1.0
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID Imaging Plate'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.050
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       12
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            11887
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.0
_exptl_absorpt_coefficient_mu    12.622
_exptl_absorpt_correction_T_max  0.685
_exptl_absorpt_correction_T_min  0.233
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 1995)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.454
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             872.00
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.110
_exptl_crystal_size_min          0.030
_refine_diff_density_max         0.99
_refine_diff_density_min         -2.15
_refine_ls_extinction_coef       0.0000
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.857
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     160
_refine_ls_number_reflns         2949
_refine_ls_R_factor_gt           0.0292
_refine_ls_shift/su_max          0.0010
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.079P)^2^+5.354P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1002
_reflns_number_gt                2547
_reflns_number_total             2949
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ng2546.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2221450
_cod_database_fobs_code          2221450