<i>catena</i>-Poly[[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')neodymium(III)]-μ-dichloroacetato-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) m1618–m1619; doi:10.1107/S1600536806022872

data_2209695
_publ_section_title
<i>catena</i>-Poly[[(2,2'-bipyridine-\k^2^<i>N</i>,<i>N</i>')neodymium(III)]-\m-dichloroacetato-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           WW2021
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1618
_journal_page_last               m1619
_journal_paper_doi               10.1107/S1600536806022872
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          '[Nd (C2 H Cl2 O2)3 (C10 H8 N2)]'
_chemical_formula_moiety         'C16 H11 Cl6 N2 Nd O6'
_chemical_formula_sum            'C16 H11 Cl6 N2 Nd O6'
_chemical_formula_weight         684.21
_chemical_name_systematic
;
catena-Poly[[(2,2'-bipyridine-\k^2^N,N')neodymium(III)]-\m-dichloroacetato-
1\k^2^O,O':2\kO-di-\m-dichloroacetato-\k^4^O:O'-[(2,2'-
bipyridine-\k^2^N,N')neodymium(III)]-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                109.336(11)
_cell_angle_beta                 104.427(11)
_cell_angle_gamma                102.457(11)
_cell_formula_units_Z            2
_cell_length_a                   8.8492(8)
_cell_length_b                   12.2399(12)
_cell_length_c                   12.3403(12)
_cell_measurement_reflns_used    7998
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.0
_cell_measurement_theta_min      2.0
_cell_volume                     1154.6(3)
_computing_cell_refinement       'IPDS Software'
_computing_data_collection       'IPDS Software (Stoe & Cie, 1998)'
_computing_data_reduction        'IPDS Software'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 2001)'
_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 0.943
_diffrn_measured_fraction_theta_max 0.913
_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  0.0404
_diffrn_reflns_av_sigmaI/netI    0.0469
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            16610
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         26.24
_diffrn_reflns_theta_min         2.03
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.978
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            violet
_exptl_crystal_density_diffrn    1.968
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             662
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.07
_refine_diff_density_max         0.766
_refine_diff_density_min         -1.137
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.980
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     280
_refine_ls_number_reflns         4248
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.980
_refine_ls_R_factor_all          0.0415
_refine_ls_R_factor_gt           0.0313
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0442P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0713
_refine_ls_wR_factor_ref         0.0734
_reflns_number_gt                3542
_reflns_number_total             4248
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ww2021.cif
_cod_data_source_block           I
_cod_database_code               2209695
_cod_database_fobs_code          2209695