A new dinuclear Cu^II^–Sm^III^ complex with a salen-type Schiff base ligand
Sui, Yan; Fang, Xiao-Niu; Xiao, Yi-An; Luo, Qiu-Yan; Li, Meng-Hua; Acta Crystallographica Section E 62 (2006) m2230–m2232; doi:10.1107/S1600536806032120

data_2210066
_publ_section_title
;
 A new dinuclear Cu^II^--Sm^III^ complex with a salen-type Schiff base
 ligand
;
_journal_coeditor_code           AT2085
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2230
_journal_page_last               m2232
_journal_paper_doi               10.1107/S1600536806032120
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          '[Cu Sm (C18 H18 N2 O4) (N O3)2 (H2 O)2] N O3'
_chemical_formula_moiety         'C18 H22 Cu N4 O12 Sm +, N O3 -'
_chemical_formula_sum            'C18 H22 Cu N5 O15 Sm'
_chemical_formula_weight         762.30
_chemical_name_systematic
;Diaqua{6,6'-dimethoxy-2,2'-[1,2-
ethanediylbis(nitrilomethylidyne)]diphenolato}dinitratosamarium(III)copper(II)
nitrate
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 108.1960(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.1526(3)
_cell_length_b                   21.6121(7)
_cell_length_c                   13.4409(4)
_cell_measurement_reflns_used    16313
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      26.00
_cell_measurement_theta_min      1.85
_cell_volume                     2525.75(14)
_computing_cell_refinement       APEX2
_computing_data_collection       'APEX2 (Bruker, 2004)'
_computing_data_reduction        APEX2
_computing_molecular_graphics    APEX2
_computing_publication_material  APEX2
_computing_structure_refinement  APEX2
_computing_structure_solution    APEX2
_diffrn_ambient_temperature      296(2)
_diffrn_detector_area_resol_mean 0
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_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  0.0211
_diffrn_reflns_av_sigmaI/netI    0.0205
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            16313
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.85
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.229
_exptl_absorpt_correction_T_max  0.622
_exptl_absorpt_correction_T_min  0.528
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2004)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    2.005
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1504
_exptl_crystal_size_max          0.280
_exptl_crystal_size_mid          0.170
_exptl_crystal_size_min          0.147
_refine_diff_density_max         0.682
_refine_diff_density_min         -0.812
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.003
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     379
_refine_ls_number_reflns         4906
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.003
_refine_ls_R_factor_all          0.0317
_refine_ls_R_factor_gt           0.0277
_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^)+(0.084P)^2^+0.4122P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1021
_refine_ls_wR_factor_ref         0.1043
_reflns_number_gt                4310
_reflns_number_total             4906
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            at2085.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2210066
_cod_database_fobs_code          2210066