Poly[(6-carboxypicolinato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)(μ~3~-pyridine-2,6-dicarboxylato-κ^5^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^:<i>O</i>^2'^:<i>O</i>^6'^)dysprosium(III)]
Li, Xu; Lian, Qing-Yang; Meng, Qiu-Hui; Luo, Yi-Fan; Zeng, Rong-Hua; Acta Crystallographica Section E 65 (2009) m1288–m1289; doi:10.1107/S1600536809039075

data_2224012
_publ_section_title
Poly[(6-carboxypicolinato-\k^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)(\m~3~-pyridine-2,6-dicarboxylato-\k^5^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^:<i>O</i>^2'^:<i>O</i>^6'^)dysprosium(III)]
_journal_coeditor_code           SJ2654
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1288
_journal_page_last               m1289
_journal_paper_doi               10.1107/S1600536809039075
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          '[Dy (C7 H3 N O4) (C7 H4 N O4)]'
_chemical_formula_moiety         'C14 H7 Dy N2 O8'
_chemical_formula_sum            'C14 H7 Dy N2 O8'
_chemical_formula_weight         493.72
_chemical_name_systematic
Poly[(6-carboxypicolinato-\k^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)(\m~3~-pyridine-2,6-dicarboxylato-\k^5^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^:<i>O</i>^2'^:<i>O</i>^6'^)dysprosium(III)]
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/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                 102.3320(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.2151(14)
_cell_length_b                   8.3703(10)
_cell_length_c                   13.4698(16)
_cell_measurement_reflns_used    5626
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.80
_cell_measurement_theta_min      2.43
_cell_volume                     1345.4(3)
_computing_cell_refinement       'SAINT (Bruker, 2004)'
_computing_data_collection       'APEX2 (Bruker, 2004)'
_computing_data_reduction        'SAINT (Bruker, 2004)'
_computing_molecular_graphics
'ORTEPIII (Burnett & Johnson, 1996) and PLATON (Spek, 2009)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker APEXII area-detector'
_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  0.0235
_diffrn_reflns_av_sigmaI/netI    0.0261
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            6670
_diffrn_reflns_theta_full        25.20
_diffrn_reflns_theta_max         25.20
_diffrn_reflns_theta_min         1.71
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    5.608
_exptl_absorpt_correction_T_max  0.4154
_exptl_absorpt_correction_T_min  0.3587
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2004)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.437
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             940
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.19
_refine_diff_density_max         0.581
_refine_diff_density_min         -1.429
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.115
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     229
_refine_ls_number_reflns         2413
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.115
_refine_ls_R_factor_all          0.0222
_refine_ls_R_factor_gt           0.0210
_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^)+(0.0241P)^2^+1.92P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0504
_refine_ls_wR_factor_ref         0.0510
_reflns_number_gt                2305
_reflns_number_total             2413
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            sj2654.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2224012
_cod_database_fobs_code          2224012