Poly[triaquatris(μ-4-pyridine-3,5-dicarboxylato)didysprosium(III)]
Li, Feng; Acta Crystallographica Section E 63 (2007) m73–m74; doi:10.1107/S1600536806051622

data_2211880
_publ_section_title
;
 Poly[triaquatris(\m-4-pyridine-3,5-dicarboxylato)didysprosium(III)]
;
_journal_coeditor_code           LH2235
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m73
_journal_page_last               m74
_journal_paper_doi               10.1107/S1600536806051622
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Dy2 (C7 H3 N1 O4)3 (H2 O1)3]'
_chemical_formula_moiety         'C21 H15 Dy2 N3 O15'
_chemical_formula_sum            'C21 H15 Dy2 N3 O15'
_chemical_formula_weight         874.36
_chemical_name_systematic
;
Poly[triaquatris(\m-4-pyridine-3,5-dicarboxylato)didysprosium(III)]
;
_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                97.7810(10)
_cell_angle_beta                 95.5180(10)
_cell_angle_gamma                104.8190(10)
_cell_formula_units_Z            2
_cell_length_a                   8.9266(2)
_cell_length_b                   9.35950(10)
_cell_length_c                   14.722(3)
_cell_measurement_reflns_used    6372
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      25.67
_cell_measurement_theta_min      1.41
_cell_volume                     1167.1(2)
_computing_cell_refinement       'SAINT (Bruker, 2004)'
_computing_data_collection       'SMART (Bruker, 2004)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL (Bruker, 2004)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      273(2)
_diffrn_detector_area_resol_mean 14.6306
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_device_type
;
Bruker SMART CCD
;
_diffrn_measurement_method       \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  0.0213
_diffrn_reflns_av_sigmaI/netI    0.0271
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            6372
_diffrn_reflns_theta_full        25.67
_diffrn_reflns_theta_max         25.67
_diffrn_reflns_theta_min         1.41
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    6.443
_exptl_absorpt_correction_T_max  0.826
_exptl_absorpt_correction_T_min  0.672
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.488
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             828
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.03
_refine_diff_density_max         1.235
_refine_diff_density_min         -2.026
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.013
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     370
_refine_ls_number_reflns         4351
_refine_ls_number_restraints     24
_refine_ls_restrained_S_all      1.015
_refine_ls_R_factor_all          0.0386
_refine_ls_R_factor_gt           0.0358
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0721P)^2^+10.4697P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1033
_refine_ls_wR_factor_ref         0.1099
_reflns_number_gt                4055
_reflns_number_total             4351
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            lh2235.cif
_cod_data_source_block           I
_cod_database_code               2211880
_cod_database_fobs_code          2211880