<i>catena</i>-Poly[[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')-praseodymium(III)]-μ-dichloroacetate-1κ^2^<i>O</i>:<i>O</i>':2κ<i>O</i>-di-μ-dichloroacetato-κ^4^<i>O</i>:<i>O</i>']
Rohde, Alexander; Urland, Werner; Acta Crystallographica Section E 62 (2006) m2843–m2845; doi:10.1107/S160053680603995X

data_2210895
_publ_section_title
<i>catena</i>-Poly[[(2,2'-bipyridine-\k^2^<i>N</i>,<i>N</i>')-praseodymium(III)]-\m-dichloroacetate-1\k^2^<i>O</i>:<i>O</i>':2\k<i>O</i>-di-\m-dichloroacetato-\k^4^<i>O</i>:<i>O</i>']
_journal_coeditor_code           BT2196
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2843
_journal_page_last               m2845
_journal_paper_doi               10.1107/S160053680603995X
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          '[Pr (C2 H Cl2 O2)3 (C10 H8 N2)]'
_chemical_formula_moiety         'C16 H11 Cl6 N2 O6 Pr'
_chemical_formula_sum            'C16 H11 Cl6 N2 O6 Pr'
_chemical_formula_weight         680.88
_chemical_name_systematic
;catena-Poly[[(2,2'-bipyridine-\k^2^N,N')-praseodymium(III)]-
\m-dichloroacetate-1\k^2^O:O':2\kO-di-\m-dichloroacetato-\k^4^O:O']
;
_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
_cell_angle_alpha                109.280(12)
_cell_angle_beta                 104.493(12)
_cell_angle_gamma                102.541(12)
_cell_formula_units_Z            2
_cell_length_a                   8.8787(9)
_cell_length_b                   12.2644(12)
_cell_length_c                   12.3537(13)
_cell_measurement_reflns_used    7998
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.1
_cell_measurement_theta_min      2.6
_cell_volume                     1161.3(3)
_computing_cell_refinement       'IPDS Software'
_computing_data_collection       'IPDS Software (Stoe & Cie, 1998)'
_computing_data_reduction        'IPDS Software'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 2006)'
_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 0.942
_diffrn_measured_fraction_theta_max 0.915
_diffrn_measurement_device_type  'STOE IPDS area-detector'
_diffrn_measurement_method       \f
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0476
_diffrn_reflns_av_sigmaI/netI    0.0454
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            20573
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         28.28
_diffrn_reflns_theta_min         2.51
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.823
_exptl_absorpt_correction_T_max  0.6928
_exptl_absorpt_correction_T_min  0.6529
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(Blessing, 1995)
;
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.947
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             660
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.13
_refine_diff_density_max         0.872
_refine_diff_density_min         -1.926
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.974
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     280
_refine_ls_number_reflns         5261
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.974
_refine_ls_R_factor_all          0.0422
_refine_ls_R_factor_gt           0.0331
_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^)+(0.0514P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0756
_refine_ls_wR_factor_ref         0.0786
_reflns_number_gt                4404
_reflns_number_total             5261
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bt2196.cif
_cod_data_source_block           I
_cod_original_cell_volume        1161.4(3)
_cod_database_code               2210895
_cod_database_fobs_code          2210895