Poly[[tetraaquadi-μ~4~-succinato-μ~5~-succinato-diytterbium(III)] hexahydrate]
Rahahlia, N.; Alioune, K.; Guehria-Laidoudi, A.; Dahaoui, S.; Lecomte, C.; Acta Crystallographica Section E 62 (2006) m2543–m2545; doi:10.1107/S1600536806036002

data_2210702
_publ_section_title
;
 Poly[[tetraaquadi-\m~4~-succinato-\m~5~-succinato-diytterbium(III)]
 hexahydrate]
;
_journal_coeditor_code           LH2170
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2543
_journal_page_last               m2545
_journal_paper_doi               10.1107/S1600536806036002
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          '[Yb2 (C4 H4 O4)3 (H2 O)4], 3H2 O'
_chemical_formula_moiety         'C6 H10 O8 Yb, 3H2 O'
_chemical_formula_sum            'C6 H16 O11 Yb'
_chemical_formula_weight         437.23
_chemical_name_common
;
Poly [[tetraaquadi-\m~4~-succinato-\m~5~-
succinato-diyterbium (III)] hexahydrate]
;
_chemical_name_systematic
;
Poly[[tetraaquadi-\m~4~-succinato-\m~5~- succinato-diyterbium (III)]
hexahydrate]
;
_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           'WinGX routine-INITIALISE'
_cell_angle_alpha                79.959(5)
_cell_angle_beta                 89.571(5)
_cell_angle_gamma                71.133(5)
_cell_formula_units_Z            2
_cell_length_a                   6.457(5)
_cell_length_b                   9.741(5)
_cell_length_c                   10.384(5)
_cell_measurement_reflns_used    29166
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      35.00
_cell_measurement_theta_min      2.72
_cell_volume                     607.7(6)
_computing_cell_refinement       'DIRAX/LSQ (Duisenberg, 1992)'
_computing_data_collection       'KappaCCD Software (Nonius, 1999)'
_computing_data_reduction        'EvalCCD (Duisenberg <i>et al.</i>,  2003)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0592
_diffrn_reflns_av_sigmaI/netI    0.0276
_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       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            29166
_diffrn_reflns_theta_full        35.00
_diffrn_reflns_theta_max         35.00
_diffrn_reflns_theta_min         2.72
_exptl_absorpt_coefficient_mu    7.746
_exptl_absorpt_correction_T_max  0.6902
_exptl_absorpt_correction_T_min  0.1841
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   '(ABSORB; De Titta, 1988)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.389
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             420
_exptl_crystal_size_max          0.463
_exptl_crystal_size_mid          0.165
_exptl_crystal_size_min          0.050
_refine_diff_density_max         2.231
_refine_diff_density_min         -3.308
_refine_ls_extinction_coef       0.0182(9)
_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   1.055
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     194
_refine_ls_number_reflns         5330
_refine_ls_number_restraints     8
_refine_ls_restrained_S_all      1.055
_refine_ls_R_factor_all          0.0278
_refine_ls_R_factor_gt           0.0242
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0401P)^2^+1.5702P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0624
_refine_ls_wR_factor_ref         0.0654
_reflns_number_gt                5008
_reflns_number_total             5330
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            lh2170.cif
_cod_data_source_block           I
_cod_database_code               2210702
_cod_database_fobs_code          2210702