<i>catena</i>-Poly[[diaqua(isonicotinato-κ^2^<i>O</i>,<i>O</i>')dysprosium(III)]-di-μ-isonicotinato-κ^4^<i>O</i>:<i>O</i>']
Guo-Ming Wang; Bo Xu; Hui-Luan Liu; Qing-Hua Zheng; Acta Crystallographica Section E 62 (2006) m2952–m2954; doi:10.1107/S1600536806041559

data_2210868
_publ_section_title
<i>catena</i>-Poly[[diaqua(isonicotinato-\k^2^<i>O</i>,<i>O</i>')dysprosium(III)]-di-\m-isonicotinato-\k^4^<i>O</i>:<i>O</i>']
_journal_coeditor_code           BG2012
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2952
_journal_page_last               m2954
_journal_paper_doi               10.1107/S1600536806041559
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          '[Dy (C6 H4 N1 O2)3 (H2 O1)2]'
_chemical_formula_moiety         'C18 H16 Dy N3 O8'
_chemical_formula_sum            'C18 H16 Dy N3 O8'
_chemical_formula_weight         564.84
_chemical_name_systematic
;
catena-Poly[[diaqua(isonicotinato-\k^2^O,O')dysprosium(III)]-
di-\m-isonicotinato-\k^4^O:O']
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 97.893(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.7886(5)
_cell_length_b                   14.1361(3)
_cell_length_c                   9.5136(2)
_cell_measurement_reflns_used    1847
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      25.07
_cell_measurement_theta_min      2.60
_cell_volume                     2103.22(9)
_computing_cell_refinement       'SAINT (Bruker, 1999)'
_computing_data_collection       'SMART (Bruker, 1999)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL (Bruker, 1999)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      295(2)
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'Siemens SMART 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  0.0286
_diffrn_reflns_av_sigmaI/netI    0.0353
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            3097
_diffrn_reflns_theta_full        25.07
_diffrn_reflns_theta_max         25.07
_diffrn_reflns_theta_min         2.60
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.601
_exptl_absorpt_correction_T_max  0.65
_exptl_absorpt_correction_T_min  0.43
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.784
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1100
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.781
_refine_diff_density_min         -0.797
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.144
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     146
_refine_ls_number_reflns         1847
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.154
_refine_ls_R_factor_all          0.0466
_refine_ls_R_factor_gt           0.0413
_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^)+48.3362P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0935
_refine_ls_wR_factor_ref         0.0969
_reflns_number_gt                1736
_reflns_number_total             1847
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bg2012.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2210868
_cod_database_fobs_code          2210868