<i>catena</i>-Poly[[[diaqua[<i>trans</i>-3-(4-pyridyl)acrylato]samarium(III)]-di-μ-<i>trans</i>-3-(4-pyridyl)acrylato] dihydrate]
Zhu, Yan-Jun; Chen, Jin-Xiang; Zhang, Wen-Hua; Zhang, Yong; Lang, Jian-Ping; Acta Crystallographica Section C 61 (2005) m491–m493; doi:10.1107/S0108270105031471

data_2015214
_publ_section_title
;<i>catena</i>-Poly[[[diaqua[<i>trans</i>-3-(4-pyridyl)acrylato]samarium(III)]-di-\m-<i>trans</i>-3-(4-pyridyl)acrylato]
 dihydrate]
;
_journal_coeditor_code           SQ1225
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m491
_journal_page_last               m493
_journal_paper_doi               10.1107/S0108270105031471
_journal_volume                  61
_journal_year                    2005
_chemical_formula_iupac          '[Sm (C8 H6 N1 O2)3 (H2 O)2], 2H2 O'
_chemical_formula_moiety         'C24 H22 N3 O8 Sm, 2H2 O'
_chemical_formula_sum            'C24 H26 N3 O10 Sm'
_chemical_formula_weight         666.83
_chemical_name_systematic
;
catena-Poly[[[diaqua[trans-3-(4-pyridyl)acrylato]samarium(III)]-di-\m-trans-
3-(4-pyridyl)acrylato] dihydrate]
;
_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                111.782(2)
_cell_angle_beta                 98.825(2)
_cell_angle_gamma                100.605(2)
_cell_formula_units_Z            2
_cell_length_a                   8.2459(8)
_cell_length_b                   12.6631(15)
_cell_length_c                   14.3286(16)
_cell_measurement_reflns_used    5348
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      25.3
_cell_measurement_theta_min      3.1
_cell_volume                     1324.7(3)
_computing_cell_refinement       CrystalClear)
_computing_data_collection       'CrystalClear (Rigaku/MSC, 2001)'
_computing_data_reduction        'CrystalStructure (Rigaku/MSC, 2004)'
_computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      193(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       /w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.0245
_diffrn_reflns_av_sigmaI/netI    0.0308
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            13165
_diffrn_reflns_theta_full        25.35
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_min         3.10
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 6
_diffrn_standards_interval_time  12
_diffrn_standards_number         720
_exptl_absorpt_coefficient_mu    2.276
_exptl_absorpt_correction_T_max  0.796
_exptl_absorpt_correction_T_min  0.678
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Jacobson, 1998)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.672
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             666
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.947
_refine_diff_density_min         -0.699
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.179
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     338
_refine_ls_number_reflns         4812
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.178
_refine_ls_R_factor_all          0.0292
_refine_ls_R_factor_gt           0.0267
_refine_ls_shift/su_max          0.011
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0293P)^2^+0.9553P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0627
_refine_ls_wR_factor_ref         0.0641
_reflns_number_gt                4571
_reflns_number_total             4840
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            sq1225.cif
_cod_data_source_block           I
_cod_database_code               2015214
_cod_database_fobs_code          2015214