One-dimensional uranium‒organic framework in <i>catena</i>-poly[[di-μ~2~-hydroxido-bis[dioxouranium(VI)]]-di-μ~2~-2-pyridylacetato-κ^3^<i>O</i>,<i>N</i>:<i>O</i>';κ^3^<i>O</i>:<i>O</i>',<i>N</i>]
Thuéry, Pierre; Acta Crystallographica Section C 64 (2008) m50–m52; doi:10.1107/S010827010706249X

data_2016399
_publ_section_title
;One-dimensional uranium--organic framework in
 <i>catena</i>-poly[[di-\m~2~-hydroxido-bis[dioxouranium(VI)]]-di-\m~2~-2-pyridylacetato-\k^3^<i>O</i>,<i>N</i>:<i>O</i>';\k^3^<i>O</i>:<i>O</i>',<i>N</i>]
;
_journal_coeditor_code           LN3075
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m50
_journal_page_last               m52
_journal_paper_doi               10.1107/S010827010706249X
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac          '[U (C7 H6 N O2) O2 (O H)]'
_chemical_formula_moiety         'C7 H7 N O5 U'
_chemical_formula_sum            'C7 H7 N O5 U'
_chemical_formula_weight         423.17
_chemical_name_systematic
;
poly[\m~2~-hydroxido-\k^2^O:O-\m~2~-2-pyridylacetato-\k^3^O,N:O'-\
dioxidouranium(VI)]
;
_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           SHELXL97
_cell_angle_alpha                90.946(8)
_cell_angle_beta                 96.487(6)
_cell_angle_gamma                110.425(8)
_cell_formula_units_Z            2
_cell_length_a                   6.4056(8)
_cell_length_b                   8.2220(6)
_cell_length_c                   9.0916(12)
_cell_measurement_reflns_used    17254
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      25.68
_cell_measurement_theta_min      3.42
_cell_volume                     445.04(9)
_computing_cell_refinement       'HKL2000 (Otwinowski & Minor, 1997)'
_computing_data_collection       'COLLECT (Nonius, 1998)'
_computing_data_reduction        'HKL2000 (Otwinowski & Minor, 1997)'
_computing_molecular_graphics    'SHELXTL (Bruker, 1999)'
_computing_publication_material
'SHELXTL (Bruker, 1999) and PLATON (Spek, 2003)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type
'Nonius--Kappa CCD area-detector diffractometer'
_diffrn_measurement_method       'two \f and ten \w scans with 2\% steps'
_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  0.0620
_diffrn_reflns_av_sigmaI/netI    0.0649
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            17254
_diffrn_reflns_theta_full        25.68
_diffrn_reflns_theta_max         25.68
_diffrn_reflns_theta_min         3.42
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    18.231
_exptl_absorpt_correction_T_max  0.335
_exptl_absorpt_correction_T_min  0.208
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SCALEPACK; Otwinowski & Minor, 1997)'
_exptl_crystal_colour            'translucent light yellow'
_exptl_crystal_density_diffrn    3.158
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       irregular
_exptl_crystal_F_000             376
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.778
_refine_diff_density_min         -1.229
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     127
_refine_ls_number_reflns         1674
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.044
_refine_ls_R_factor_all          0.0219
_refine_ls_R_factor_gt           0.0185
_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^)+0.1322P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0388
_refine_ls_wR_factor_ref         0.0394
_reflns_number_gt                1595
_reflns_number_total             1674
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ln3075.cif
_cod_data_source_block           I
_cod_database_code               2016399
_cod_database_fobs_code          2016399