<i>catena</i>-Poly[diimidazolium [bis(μ-pyridine-2,5-dicarboxylato)bis[diaquapraseodymate(III)]]-bis(μ-pyridine-2,5-dicarboxylato)]
Zhang, Wenjun; Chen, Yanmei; Lei, Tao; Li, Yahong; Li, Wu; Acta Crystallographica Section E 67 (2011) m569–m570; doi:10.1107/S1600536811012360

data_2230048
_publ_section_title
;
 <i>catena</i>-Poly[diimidazolium
 [bis(\m-pyridine-2,5-dicarboxylato)bis[diaquapraseodymate(III)]]-bis(\m-pyridine-2,5-dicarboxylato)]
;
_journal_coeditor_code           JH2277
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m569
_journal_page_last               m570
_journal_paper_doi               10.1107/S1600536811012360
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '(C3 H5 N2)2 [Pr2 (C7 H3 N O4)4 (H2 O)4]'
_chemical_formula_moiety         '2(C3 H5 N2 +), C28 H20 N4 O20 Pr2 -'
_chemical_formula_sum            'C34 H30 N8 O20 Pr2'
_chemical_formula_weight         1152.48
_chemical_name_systematic
;
<i>catena</i>-Poly[diimidazolium
[bis(\m-pyridine-2,5-dicarboxylato)bis[diaquapraseodymate(III)]]-bis(\m-
pyridine-2,5-dicarboxylato)]
;
_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                64.63(3)
_cell_angle_beta                 79.50(3)
_cell_angle_gamma                87.50(3)
_cell_formula_units_Z            1
_cell_length_a                   9.5444(19)
_cell_length_b                   10.667(2)
_cell_length_c                   11.222(2)
_cell_measurement_reflns_used    3561
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.48
_cell_measurement_theta_min      2.58
_cell_volume                     1014.3(4)
_computing_cell_refinement       'SAINT (Bruker, 2001)'
_computing_data_collection       'SMART (Bruker, 2001)'
_computing_data_reduction        'SAINT (Bruker, 2001)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_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  0.0198
_diffrn_reflns_av_sigmaI/netI    0.0155
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            14917
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.04
_diffrn_standards_decay_%        99.7
_diffrn_standards_interval_count 14917
_diffrn_standards_number         3561
_exptl_absorpt_coefficient_mu    2.466
_exptl_absorpt_correction_T_max  0.8085
_exptl_absorpt_correction_T_min  0.6515
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2001)'
_exptl_crystal_colour            'light green'
_exptl_crystal_density_diffrn    1.887
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             568
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.09
_refine_diff_density_max         0.328
_refine_diff_density_min         -0.452
_refine_ls_extinction_coef       305
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     305
_refine_ls_number_reflns         3561
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.043
_refine_ls_R_factor_all          0.0157
_refine_ls_R_factor_gt           0.0152
_refine_ls_shift/su_max          0.068
_refine_ls_shift/su_mean         0.003
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0271P)^2^+0.5143P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0421
_refine_ls_wR_factor_ref         0.0425
_reflns_number_gt                3468
_reflns_number_total             3561
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            jh2277.cif
_cod_data_source_block           I
_cod_original_cell_volume        1014.3(3)
_cod_original_sg_symbol_Hall     '-p 1'
_cod_database_code               2230048
_cod_database_fobs_code          2230048