<i>catena</i>-Poly[[[diaquaneodymium(III)]bis(μ-difluoroacetato-κ^2^<i>O</i>:<i>O</i>')[diaquaneodymium(III)]tetrakis(μ-difluoroacetato-κ^2^<i>O</i>:<i>O</i>')] monohydrate]
Rohde, Alexander; Urland, Werner; Acta Crystallographica Section E 62 (2006) m3240–m3241; doi:10.1107/S1600536806045910

data_2211602
_publ_section_title
;<i>catena</i>-Poly[[[diaquaneodymium(III)]bis(\m-difluoroacetato-\k^2^<i>O</i>:<i>O</i>')[diaquaneodymium(III)]tetrakis(\m-difluoroacetato-\k^2^<i>O</i>:<i>O</i>')]
 monohydrate]
;
_journal_coeditor_code           SG2083
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m3240
_journal_page_last               m3241
_journal_paper_doi               10.1107/S1600536806045910
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          '[Nd (C2 H F2 O2)3 (H2 O)2], H2 O'
_chemical_formula_moiety         'C6 H7 F6 Nd O8, H2 O'
_chemical_formula_sum            'C6 H9 F6 Nd O9'
_chemical_formula_weight         483.37
_chemical_name_systematic
;
catena-Poly[[diaquaneodymium(III)]bis(\m-difluoroacetato-
\k^2^O:O')[diaquaneodymium(III)]tetrakis(\m-difluoroacetato-\k^2^O:O')]
monohydrate]
;
_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                66.67(3)
_cell_angle_beta                 79.34(3)
_cell_angle_gamma                77.74(3)
_cell_formula_units_Z            2
_cell_length_a                   8.405(2)
_cell_length_b                   9.508(3)
_cell_length_c                   9.639(3)
_cell_measurement_reflns_used    8000
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.8
_cell_measurement_theta_min      2.5
_cell_volume                     686.8(4)
_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 0.943
_diffrn_measured_fraction_theta_max 0.920
_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  0.0419
_diffrn_reflns_av_sigmaI/netI    0.0318
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            9819
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         26.12
_diffrn_reflns_theta_min         2.32
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.895
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            violet
_exptl_crystal_density_diffrn    2.337
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             462
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.13
_refine_diff_density_max         0.685
_refine_diff_density_min         -1.197
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     199
_refine_ls_number_reflns         2512
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.035
_refine_ls_R_factor_all          0.0304
_refine_ls_R_factor_gt           0.0263
_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^)+(0.0443P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0635
_refine_ls_wR_factor_ref         0.0644
_reflns_number_gt                2246
_reflns_number_total             2512
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            sg2083.cif
_cod_data_source_block           I
_cod_database_code               2211602
_cod_database_fobs_code          2211602