Poly[(μ~3~-isonicotinato-κ^3^<i>N</i>:<i>O</i>:<i>O</i>')(μ~4~-tetraoxidochromato-κ^5^<i>O</i>:<i>O</i>':<i>O</i>',<i>O</i>'':<i>O</i>'')erbium(III)]
Liu, Jiu-Hui; Huang, Chun-Fang; Li, Mei; Acta Crystallographica Section E 63 (2007) m1185–m1187; doi:10.1107/S1600536807012536

data_2213111
_publ_section_title
Poly[(\m~3~-isonicotinato-\k^3^<i>N</i>:<i>O</i>:<i>O</i>')(\m~4~-tetraoxidochromato-\k^5^<i>O</i>:<i>O</i>':<i>O</i>',<i>O</i>'':<i>O</i>'')erbium(III)]
_journal_coeditor_code           BG2036
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1185
_journal_page_last               m1187
_journal_paper_doi               10.1107/S1600536807012536
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Cr Er (C6 H4 N O2) O4]'
_chemical_formula_moiety         'C6 H4 Cr Er N O6'
_chemical_formula_sum            'C6 H4 Cr Er N O6'
_chemical_formula_weight         405.36
_chemical_name_systematic
;
Poly[\m~3~-isonicotinato-\k^3^N:O:O')(\m~4~-tetraoxidochromato-
\k^5^O:O':O',O'':O'')erbium(III)]
;
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   6.636(3)
_cell_length_b                   6.980(3)
_cell_length_c                   18.980(8)
_cell_measurement_reflns_used    2778
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      27.4487
_cell_measurement_theta_min      3.1095
_cell_volume                     879.1(7)
_computing_cell_refinement       'SAINT (Siemens, 1994)'
_computing_data_collection       'SMART (Siemens, 1996)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL (Siemens, 1994)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Siemens 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  0.0364
_diffrn_reflns_av_sigmaI/netI    0.0386
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            6991
_diffrn_reflns_theta_full        27.47
_diffrn_reflns_theta_max         27.47
_diffrn_reflns_theta_min         2.15
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    10.723
_exptl_absorpt_correction_T_max  0.73
_exptl_absorpt_correction_T_min  0.52
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    3.063
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             748
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.03
_refine_diff_density_max         1.989
_refine_diff_density_min         -2.341
_refine_ls_abs_structure_details 'Flack (1983), 811 Friedel pairs?'
_refine_ls_abs_structure_Flack   0.001(19)
_refine_ls_extinction_coef       0.0115(6)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL97
_refine_ls_goodness_of_fit_ref   1.008
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     137
_refine_ls_number_reflns         2010
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.008
_refine_ls_R_factor_all          0.0283
_refine_ls_R_factor_gt           0.0230
_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^)+(0.0540P)^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         0.0754
_reflns_number_gt                1879
_reflns_number_total             2010
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bg2036.cif
_cod_data_source_block           I
_cod_database_code               2213111
_cod_database_fobs_code          2213111