Poly[[[diaquabis(1,10-phenanthroline)samarium(III)]-tri-μ~2~-oxalato] tetrahydrate]
Fu-Yong Fang; Xian-Xia Guo; Wen-Dong Song; Acta Crystallographica Section E 63 (2007) m1031–m1033; doi:10.1107/S1600536807010586

data_2213071
_publ_section_title
;
 Poly[[[diaquabis(1,10-phenanthroline)samarium(III)]-tri-\m~2~-oxalato]
 tetrahydrate]
;
_journal_coeditor_code           ZL2003
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1031
_journal_page_last               m1033
_journal_paper_doi               10.1107/S1600536807010586
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Sm2 (C2 O4)3 (C10 H8 N2)2 (H2 O)2], 4H2 O'
_chemical_formula_moiety         'C30 H20 N4 O14 Sm2, 4(H2 O)'
_chemical_formula_sum            'C30 H28 N4 O18 Sm2'
_chemical_formula_weight         1033.26
_chemical_name_systematic
;
Poly[[[diaquabis(1,10-phenanthroline)samarium(III)]-tri-\m~2~-oxalato]
tetrahydrate]
;
_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           SHELXL-97
_cell_angle_alpha                109.2290(10)
_cell_angle_beta                 106.4490(10)
_cell_angle_gamma                95.7000(10)
_cell_formula_units_Z            2
_cell_length_a                   10.17160(10)
_cell_length_b                   12.4806(2)
_cell_length_c                   14.7630(2)
_cell_measurement_reflns_used    5970
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.00
_cell_measurement_theta_min      1.21
_cell_volume                     1658.33(4)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker, 1998)'
_computing_data_reduction        'SAINT (Bruker, 1999)'
_computing_molecular_graphics    'SHELXTL (Bruker, 1998)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.979
_diffrn_measured_fraction_theta_max 0.979
_diffrn_measurement_device_type  'Bruker APEX II area-detector'
_diffrn_measurement_method       '\f and \w'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0177
_diffrn_reflns_av_sigmaI/netI    0.0318
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            10096
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         2.14
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.597
_exptl_absorpt_correction_T_max  0.649
_exptl_absorpt_correction_T_min  0.514
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.069
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1008
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.504
_refine_diff_density_min         -2.610
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.060
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     523
_refine_ls_number_reflns         6377
_refine_ls_number_restraints     21
_refine_ls_restrained_S_all      1.078
_refine_ls_R_factor_all          0.0324
_refine_ls_R_factor_gt           0.0274
_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^)+(0.0513P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0720
_refine_ls_wR_factor_ref         0.0810
_reflns_number_gt                5578
_reflns_number_total             6377
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            zl2003.cif
_cod_data_source_block           I
_cod_original_cell_volume        1658.32(4)
_cod_database_code               2213071
_cod_database_fobs_code          2213071