Three novel 1D lanthanide-carboxylate polymeric complexes: syntheses, crystal structures and magnetic analyses.
Tian, Jumei; Li, Bo; Zhang, Xiaoying; Li, Xiaolei; Li, Xiaoliang; Zhang, Jingping; Dalton transactions (Cambridge, England : 2003) 42 (2013) 8504–8511; doi:10.1039/c3dt50782c

data_7023138
_publ_section_title
;
 Three novel 1D lanthanide-carboxylate polymeric complexes: syntheses,
 crystal structures and magnetic analyses.
;
_journal_issue                   23
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              8504
_journal_page_last               8511
_journal_paper_doi               10.1039/c3dt50782c
_journal_volume                  42
_journal_year                    2013
_chemical_formula_sum            'C25 H24 Dy N3 O14'
_chemical_formula_weight         752.97
_chemical_name_systematic
;
?
;
_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                118.378(3)
_cell_angle_beta                 97.249(4)
_cell_angle_gamma                99.837(4)
_cell_formula_units_Z            2
_cell_length_a                   9.798(3)
_cell_length_b                   12.935(4)
_cell_length_c                   13.396(4)
_cell_measurement_reflns_used    6079
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.75
_cell_measurement_theta_min      1.78
_cell_volume                     1429.1(8)
_computing_cell_refinement       'SAINT (Bruker, 1999)'
_computing_data_collection       'SMART (Bruker, 1997)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL-PLUS (Sheldrick, 1990)'
_computing_publication_material  SHELXL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 10.0
_diffrn_measured_fraction_theta_full 0.975
_diffrn_measured_fraction_theta_max 0.975
_diffrn_measurement_device_type  'Bruker APEX CCD area-detector'
_diffrn_measurement_method       '\w scan'
_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  0.0297
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            8538
_diffrn_reflns_theta_full        26.75
_diffrn_reflns_theta_max         26.75
_diffrn_reflns_theta_min         1.78
_exptl_absorpt_coefficient_mu    2.689
_exptl_absorpt_correction_T_max  0.511
_exptl_absorpt_correction_T_min  0.463
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.750
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
_exptl_crystal_F_000             746
_exptl_crystal_size_max          0.29
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.25
_refine_diff_density_max         1.647
_refine_diff_density_min         -2.072
_refine_diff_density_rms         0.129
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     490
_refine_ls_number_reflns         6079
_refine_ls_number_restraints     656
_refine_ls_restrained_S_all      1.010
_refine_ls_R_factor_all          0.0435
_refine_ls_R_factor_gt           0.0389
_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^)+(0.0542P)^2^+2.0023P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1012
_refine_ls_wR_factor_ref         0.1055
_reflns_number_gt                5381
_reflns_number_total             6079
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3dt50782c.txt
_cod_data_source_block           3
_cod_original_cell_volume        1429.1(7)
_cod_database_code               7023138
_diffrn_reflns_av_unetl/neti     0.0567