Poly[[hexaaqua(μ~2~-fumarato-κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^4^,<i>O</i>^4'^)bis(μ~3~-maleato-κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^4^:<i>O</i>^4'^)disamarium(III)] hexahydrate]
Li, Bao; Wu, Li-Xin; Acta Crystallographica Section E 66 (2010) m1540–; doi:10.1107/S1600536810045204

data_2228397
_publ_section_title
;
 Poly[[hexaaqua(\m~2~-fumarato-\k^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^4^,<i>O</i>^4'^)bis(\m~3~-maleato-\k^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^4^:<i>O</i>^4'^)disamarium(III)]
 hexahydrate]
;
_journal_coeditor_code           HY2363
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1540
_journal_paper_doi               10.1107/S1600536810045204
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '[Sm2 (C4 H2 O4)3 (H2 O)6], 6H2 O'
_chemical_formula_moiety         'C12 H18 O18 Sm2, 6(H2 O)'
_chemical_formula_sum            'C12 H30 O24 Sm2'
_chemical_formula_weight         859.08
_chemical_name_systematic
;
Poly[[hexaaqua(\m~2~-fumarato-
\k^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^4^,<i>O</i>^4'^)bis(\m~3~-maleato-
\k^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^4^:<i>O</i>^4'^)disamarium(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
_cell_angle_alpha                69.99(3)
_cell_angle_beta                 79.64(2)
_cell_angle_gamma                89.74(2)
_cell_formula_units_Z            1
_cell_length_a                   6.150(3)
_cell_length_b                   10.679(6)
_cell_length_c                   11.214(6)
_cell_measurement_reflns_used    6497
_cell_measurement_temperature    290(2)
_cell_measurement_theta_max      27.49
_cell_measurement_theta_min      3.29
_cell_volume                     679.5(6)
_computing_cell_refinement       'RAPID-AUTO (Rigaku, 1998)'
_computing_data_collection       'RAPID-AUTO (Rigaku, 1998)'
_computing_data_reduction        'CrystalStructure (Rigaku/MSC, 2002)'
_computing_molecular_graphics
'SHELXTL (Sheldrick, 2008) and DIAMOND (Brandenburg, 1999)'
_computing_publication_material  'PLATON (Spek, 2009)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      290(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotation anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0180
_diffrn_reflns_av_sigmaI/netI    0.0223
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            6707
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.29
_exptl_absorpt_coefficient_mu    4.377
_exptl_absorpt_correction_T_max  0.7823
_exptl_absorpt_correction_T_min  0.7321
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 1995)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.100
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             418
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.579
_refine_diff_density_min         -0.577
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.003
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     172
_refine_ls_number_reflns         3071
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.003
_refine_ls_R_factor_all          0.0178
_refine_ls_R_factor_gt           0.0165
_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^)+(0.0342P)^2^+3.0041P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0620
_refine_ls_wR_factor_ref         0.0655
_reflns_number_gt                2950
_reflns_number_total             3071
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hy2363.cif
_cod_data_source_block           I
_cod_original_cell_volume        679.4(6)
_cod_database_code               2228397
_cod_database_fobs_code          2228397