<i>catena</i>-Poly[[[diaqua(nitrato-κ^2^<i>O</i>,<i>O</i>')cerium(III)]-bis[μ-2-(4-hydroxyphenyl)acetato]-κ^3^<i>O</i>,<i>O</i>':<i>O</i>;κ^3^<i>O</i>:<i>O</i>,<i>O</i>'] monohydrate]
Guo, Hang-Ming; Acta Crystallographica Section E 66 (2010) m1602–; doi:10.1107/S1600536810047239

data_2228270
_publ_section_title
;
 <i>catena</i>-Poly[[[diaqua(nitrato-\k^2^<i>O</i>,<i>O</i>')cerium(III)]-bis[\m-2-(4-hydroxyphenyl)acetato]-\k^3^<i>O</i>,<i>O</i>':<i>O</i>;\k^3^<i>O</i>:<i>O</i>,<i>O</i>']
 monohydrate]
;
_journal_coeditor_code           CV2794
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1602
_journal_paper_doi               10.1107/S1600536810047239
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '[Ce (C8 H7 O3)2 (N O3) (H2 O)2], H2 O'
_chemical_formula_moiety         'C16 H18 Ce N O11, H2 O'
_chemical_formula_sum            'C16 H20 Ce N O12'
_chemical_formula_weight         558.45
_chemical_name_systematic
;
<i>catena</i>-Poly[[[diaqua(nitrato-\k^2^<i>O</i>,<i>O</i>')cerium(III)]-
bis[\m-2-(4-hydroxyphenyl)acetato]-
\k^3^<i>O</i>,<i>O</i>':<i>O</i>;\k^3^<i>O</i>:<i>O</i>,<i>O</i>'] monohydrate]
;
_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                92.120(2)
_cell_angle_beta                 90.829(2)
_cell_angle_gamma                112.550(2)
_cell_formula_units_Z            2
_cell_length_a                   8.1151(3)
_cell_length_b                   9.8048(4)
_cell_length_c                   13.2396(5)
_cell_measurement_reflns_used    8276
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.66
_cell_measurement_theta_min      2.25
_cell_volume                     971.76(7)
_computing_cell_refinement       'SAINT (Bruker, 2006)'
_computing_data_collection       'APEX2 (Bruker, 2006)'
_computing_data_reduction        'SAINT (Bruker, 2006)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Bruker APEXII'
_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  0.0255
_diffrn_reflns_av_sigmaI/netI    0.0259
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            15535
_diffrn_reflns_theta_full        27.66
_diffrn_reflns_theta_max         27.66
_diffrn_reflns_theta_min         2.25
_exptl_absorpt_coefficient_mu    2.409
_exptl_absorpt_correction_T_max  0.935
_exptl_absorpt_correction_T_min  0.716
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.909
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             554
_exptl_crystal_size_max          0.143
_exptl_crystal_size_mid          0.136
_exptl_crystal_size_min          0.028
_refine_diff_density_max         0.715
_refine_diff_density_min         -0.355
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.978
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     289
_refine_ls_number_reflns         4492
_refine_ls_number_restraints     9
_refine_ls_restrained_S_all      0.978
_refine_ls_R_factor_all          0.0228
_refine_ls_R_factor_gt           0.0199
_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^)+(0.0337P)^2^+0.0249P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0481
_refine_ls_wR_factor_ref         0.0500
_reflns_number_gt                4133
_reflns_number_total             4492
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            cv2794.cif
_cod_data_source_block           I
_cod_original_cell_volume        971.76(6)
_cod_database_code               2228270
_cod_database_fobs_code          2228270