<i>catena</i>-Poly[[bis(1,10-phenanthroline)samarium]-di-μ-2-hydroxybenzoato-sodium-di-μ-2-hydroxybenzoato]
Cun-Jin Xu; Hui Yang; Fei Xie; Xing-zhong Guo; Acta Crystallographica Section E 60 (2004) m1627–m1629; doi:10.1107/S1600536804025346

data_2204440
_publ_section_title
<i>catena</i>-Poly[[bis(1,10-phenanthroline)samarium]-di-\m-2-hydroxybenzoato-sodium-di-\m-2-hydroxybenzoato]
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1627
_journal_page_last               m1629
_journal_paper_doi               10.1107/S1600536804025346
_journal_volume                  60
_journal_year                    2004
_chemical_formula_iupac          '[Na Sm (C7 H5 O3)4 (C12 H8 N2)2]'
_chemical_formula_moiety         'C52 H36 N4 Na O12 Sm'
_chemical_formula_sum            'C52 H36 N4 Na O12 Sm'
_chemical_formula_weight         1082.27
_chemical_melting_point          .524E-305
_chemical_name_systematic
;
catena-Poly[[bis(1,10-phenanthroline)samarium]-di-\m-
2-hydroxybenzoato-sodium-di-\m-2-hydroxybenzoato]
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_audit_creation_method           'by CrystalStructure v3.5.1'
_cell_angle_alpha                90
_cell_angle_beta                 132.4010(8)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   28.4989(7)
_cell_length_b                   9.3347(2)
_cell_length_c                   22.7954(5)
_cell_measurement_reflns_used    17110
_cell_measurement_temperature    295.0(10)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      2.4
_cell_volume                     4478.09(18)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       'PROCESS-AUTO (Rigaku/MSC, 2004)'
_computing_data_reduction        'CrystalStructure (Rigaku/MSC, 2004)'
_computing_publication_material  CrystalStructure
_computing_structure_refinement  'CRYSTALS (Watkin et al., 1996)'
_computing_structure_solution    'SIR97 (Altomare et al., 1999)'
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.9981
_diffrn_measured_fraction_theta_max 0.9971
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.037
_diffrn_reflns_limit_h_max       36
_diffrn_reflns_limit_h_min       -36
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            20367
_diffrn_reflns_theta_full        25.20
_diffrn_reflns_theta_max         27.48
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.397
_exptl_absorpt_correction_T_max  0.811
_exptl_absorpt_correction_T_min  0.687
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 1995)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.605
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       chunk
_exptl_crystal_F_000             2180.00
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.42
_refine_diff_density_min         -0.32
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.007
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     317
_refine_ls_number_reflns         3612
_refine_ls_R_factor_gt           0.0210
_refine_ls_shift/su_max          0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'w = 1/[0.0002Fo^2^ + \s(Fo^2^)]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0450
_reflns_number_gt                3612
_reflns_number_total             5126
_reflns_threshold_expression     F^2^>2\s(F^2^)
_cod_data_source_file            bt6538.cif
_cod_data_source_block           I
_cod_original_cell_volume        4478.1(2)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2204440
_cod_database_fobs_code          2204440