Poly[bis[diaqua(isonicotinato-κ^2^<i>O</i>,<i>O</i>')dysprosium(III)][bis(isonicotinato-κ<i>O</i>)copper(II)]tetra(μ~3~-isonicotinato-κ^3^<i>O</i>:<i>O</i>':<i>N</i>)]
Dai-Zhi Kuang; Yong-Lan Feng; Yun-Lin Peng; Yi-Fang Deng; Acta Crystallographica Section E 63 (2007) m2526–m2527; doi:10.1107/S1600536807043899

data_2215553
_publ_section_title
Poly[bis[diaqua(isonicotinato-\k^2^<i>O</i>,<i>O</i>')dysprosium(III)][bis(isonicotinato-\k<i>O</i>)copper(II)]tetra(\m~3~-isonicotinato-\k^3^<i>O</i>:<i>O</i>':<i>N</i>)]
_journal_coeditor_code           HY2080
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2526
_journal_page_last               m2527
_journal_paper_doi               10.1107/S1600536807043899
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Dy2 Cu (C6 H4 N O2)8 (H2 O)4]'
_chemical_formula_moiety         'C48 H40 Cu Dy2 N8 O20'
_chemical_formula_sum            'C48 H40 Cu Dy2 N8 O20'
_chemical_formula_weight         1437.43
_chemical_name_systematic
;
Poly[bis[diaqua(isonicotinato-\k2O,O')dysprosium(III)]
 [bis(isonicotinato-\kO)copper(II)]tetra(\m3-isonicotinato-\k3O:O':N)]
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 93.740(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   9.4560(10)
_cell_length_b                   14.966(3)
_cell_length_c                   18.166(4)
_cell_measurement_reflns_used    4174
_cell_measurement_temperature    294(2)
_cell_measurement_theta_max      14.57
_cell_measurement_theta_min      2.56
_cell_volume                     2565.3(8)
_computing_cell_refinement       'SAINT (Bruker, 2001)'
_computing_data_collection       'SMART (Bruker, 2001)'
_computing_data_reduction        'SAINT (Bruker, 2001)'
_computing_molecular_graphics    'SHELXTL (Bruker, 2001)'
_computing_publication_material  'SHELXTL (Bruker, 2001)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      294(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker SMART 1000 CCD area-detector'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'normal-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0181
_diffrn_reflns_av_sigmaI/netI    0.0346
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            5313
_diffrn_reflns_theta_full        25.25
_diffrn_reflns_theta_max         25.25
_diffrn_reflns_theta_min         1.76
_exptl_absorpt_coefficient_mu    3.381
_exptl_absorpt_correction_T_max  0.391
_exptl_absorpt_correction_T_min  0.199
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.861
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1410
_exptl_crystal_size_max          0.54
_exptl_crystal_size_mid          0.42
_exptl_crystal_size_min          0.28
_refine_diff_density_max         0.608
_refine_diff_density_min         -0.892
_refine_ls_extinction_coef       0.00120(9)
_refine_ls_extinction_method     SHELXL97
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     375
_refine_ls_number_reflns         4638
_refine_ls_number_restraints     4
_refine_ls_restrained_S_all      1.028
_refine_ls_R_factor_all          0.0334
_refine_ls_R_factor_gt           0.0255
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0289P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0562
_refine_ls_wR_factor_ref         0.0577
_reflns_number_gt                3853
_reflns_number_total             4638
_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            hy2080.cif
_cod_data_source_block           I
_cod_original_cell_volume        2565.4(8)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2215553
_cod_database_fobs_code          2215553