<i>catena</i>-Poly[[{diaqua[2-(4-hydroxyphenyl)acetato-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>'] 4,4'-bipyridine disolvate monohydrate]
Liu, Jia-Lu; Liu, Jian-Feng; Zhao, Guo-Liang; Acta Crystallographica Section E 66 (2010) m1678–; doi:10.1107/S1600536810048166

data_2228231
_publ_section_title
;
 <i>catena</i>-Poly[[{diaqua[2-(4-hydroxyphenyl)acetato-\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>']
 4,4'-bipyridine disolvate monohydrate]
;
_journal_coeditor_code           BT5395
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1678
_journal_paper_doi               10.1107/S1600536810048166
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '[Ce (C8 H7 O3)3 (H2 O)2], 2C10 H8 N2, H2 O'
_chemical_formula_moiety         'C24 H25 Ce O11, 2(C10 H8 N2), H2 O'
_chemical_formula_sum            'C44 H43 Ce N4 O12'
_chemical_formula_weight         959.94
_chemical_name_systematic
;
<i>catena</i>-Poly[[{diaqua[2-(4-hydroxyphenyl)acetato-
\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>']
4,4'-bipyridine disolvate 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
_cell_angle_alpha                78.5340(10)
_cell_angle_beta                 76.7160(10)
_cell_angle_gamma                73.1210(10)
_cell_formula_units_Z            2
_cell_length_a                   9.0793(2)
_cell_length_b                   12.8371(3)
_cell_length_c                   19.5796(4)
_cell_measurement_reflns_used    9983
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.65
_cell_measurement_theta_min      1.08
_cell_volume                     2103.82(8)
_computing_cell_refinement       'SAINT (Bruker, 2006)'
_computing_data_collection       'APEX2 (Bruker, 2006)'
_computing_data_reduction        'SAINT (Bruker, 2006)'
_computing_molecular_graphics    'XP in 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 0.984
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'Bruker APEXII area-detector'
_diffrn_measurement_method       'phi and omega 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  0.0341
_diffrn_reflns_av_sigmaI/netI    0.0369
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            32193
_diffrn_reflns_theta_full        27.65
_diffrn_reflns_theta_max         27.65
_diffrn_reflns_theta_min         1.08
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    1.150
_exptl_absorpt_correction_T_max  .931
_exptl_absorpt_correction_T_min  .800
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.515
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             978
_exptl_crystal_size_max          0.319
_exptl_crystal_size_mid          0.162
_exptl_crystal_size_min          0.062
_refine_diff_density_max         2.127
_refine_diff_density_min         -0.879
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.865
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     550
_refine_ls_number_reflns         9668
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.865
_refine_ls_R_factor_gt           0.0319
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1000P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1007
_refine_ls_wR_factor_ref         0.1085
_reflns_number_gt                8614
_reflns_number_total             9668
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bt5395.cif
_cod_data_source_block           I
_cod_database_code               2228231
_cod_database_fobs_code          2228231