Poly[[tetraaqua-μ~2~-oxalato-bis(μ~3~-pyridine-3,4-dicarboxylato-κ^4^<i>O</i>,<i>O</i>':<i>O</i>'':<i>O</i>''')diyttrium(III)] trihydrate]
Bao-Xia Dong; Jun Peng; Acta Crystallographica Section E 63 (2007) m689–m691; doi:10.1107/S1600536807005594

data_2212650
_publ_section_title
;Poly[[tetraaqua-\m~2~-oxalato-bis(\m~3~-pyridine-3,4-dicarboxylato-\k^4^<i>O</i>,<i>O</i>':<i>O</i>'':<i>O</i>''')diyttrium(III)]
 trihydrate]
;
_journal_coeditor_code           NG2213
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m689
_journal_page_last               m691
_journal_paper_doi               10.1107/S1600536807005594
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Y2 (C7 H3 N O4)2 (C2 O4) (H2 O)4], 3H2 O'
_chemical_formula_moiety         'C16 H14 N2 O16 Y2, 3(H2 O)'
_chemical_formula_sum            'C16 H20 N2 O19 Y2'
_chemical_formula_weight         722.16
_chemical_name_systematic
;
Poly[[tetraaqua-\m~2~-oxalato-bis(\m~3~-pyridine-3,4-dicarboxylato-
\k^4^O,O':O'':O''')diyttrium(III)] trihydrate]
;
_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                104.3400(5)
_cell_angle_beta                 99.9260(5)
_cell_angle_gamma                105.2930(5)
_cell_formula_units_Z            1
_cell_length_a                   5.9785(3)
_cell_length_b                   10.1376(5)
_cell_length_c                   11.1811(5)
_cell_measurement_reflns_used    2395
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.00
_cell_measurement_theta_min      3.35
_cell_volume                     612.47(5)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker, 1998)'
_computing_data_reduction        'SAINT (Bruker, 1998)'
_computing_molecular_graphics    'SHELXTL-Plus (Sheldrick, 1990)'
_computing_publication_material  SHELXTL-Plus
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 10.0
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Bruker SMART APEXII CCD'
_diffrn_measurement_method       '\f and \w'
_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  0.0966
_diffrn_reflns_av_sigmaI/netI    0.0818
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            5250
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         3.35
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    4.809
_exptl_absorpt_correction_T_max  0.421
_exptl_absorpt_correction_T_min  0.246
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.958
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             360
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.964
_refine_diff_density_min         -0.853
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     181
_refine_ls_number_reflns         2395
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.042
_refine_ls_R_factor_all          0.0373
_refine_ls_R_factor_gt           0.0353
_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^)+(0.0556P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0930
_refine_ls_wR_factor_ref         0.0939
_reflns_number_gt                2225
_reflns_number_total             2395
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ng2213.cif
_cod_data_source_block           I
_cod_original_sg_symbol_Hall     -P1
_cod_database_code               2212650
_cod_database_fobs_code          2212650