(Acetone-2κ<i>O</i>){μ-6,6'-dimethoxy-2,2'-[propane-1,2-diylbis(nitrilomethylidyne)]diphenolato-κ^8^1:2<i>O</i>^6^,<i>O</i>^1^,<i>O</i>^1'^,<i>O</i>^6'^:<i>O</i>^1^,<i>N</i>,<i>N</i>',<i>O</i>^1'^}tris(nitrato-1κ^2^<i>O</i>,<i>O</i>')copper(II)samarium(III)
Sun, Wen-Bin; Yan, Peng-Fei; Li, Hong-Feng; Gao, Ting; Li, Guang-Ming; Acta Crystallographica Section E 65 (2009) m840–m841; doi:10.1107/S160053680902399X

data_2222288
_publ_section_title
(Acetone-2\k<i>O</i>){\m-6,6'-dimethoxy-2,2'-[propane-1,2-diylbis(nitrilomethylidyne)]diphenolato-\k^8^1:2<i>O</i>^6^,<i>O</i>^1^,<i>O</i>^1'^,<i>O</i>^6'^:<i>O</i>^1^,<i>N</i>,<i>N</i>',<i>O</i>^1'^}tris(nitrato-1\k^2^<i>O</i>,<i>O</i>')copper(II)samarium(III)
_journal_coeditor_code           CV2575
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m840
_journal_page_last               m841
_journal_paper_doi               10.1107/S160053680902399X
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          '[Cu Sm (C19 H20 N2 O4) (N O3)3 (C3 H6 O)]'
_chemical_formula_moiety         'C22 H25 Cu N5 O14 Sm'
_chemical_formula_sum            'C22 H25 Cu N5 O14 Sm'
_chemical_formula_weight         797.38
_chemical_name_systematic
;
(Acetone-2\k<i>O</i>){\m-6,6'-dimethoxy-2,2'-[propane-1,2-
diylbis(nitrilomethylidyne)]diphenolato-
\k^8^1:2<i>O</i>^6^,<i>O</i>^1^,<i>O</i>^1'^,<i>O</i>^6'^:
<i>O</i>^1^,<i>N</i>,<i>N</i>',<i>O</i>^1'^}tris(nitrato-
1\k^2^<i>O</i>,<i>O</i>')copper(II)samarium(III)
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 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                 95.320(16)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.882(4)
_cell_length_b                   18.868(5)
_cell_length_c                   15.631(5)
_cell_measurement_reflns_used    23031
_cell_measurement_temperature    291(2)
_cell_measurement_theta_max      27.50
_cell_measurement_theta_min      2.99
_cell_volume                     2901.9(17)
_computing_cell_refinement       'RAPID-AUTO (Rigaku, 1998)'
_computing_data_collection       'RAPID-AUTO (Rigaku, 1998)'
_computing_data_reduction        'CrystalStructure (Rigaku/MSC, 2002)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      291(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       \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  0.0305
_diffrn_reflns_av_sigmaI/netI    0.0251
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            28125
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         2.99
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.812
_exptl_absorpt_correction_T_max  0.5002
_exptl_absorpt_correction_T_min  0.4037
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 1995)'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.825
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1580
_exptl_crystal_size_max          0.39
_exptl_crystal_size_mid          0.33
_exptl_crystal_size_min          0.29
_refine_diff_density_max         1.025
_refine_diff_density_min         -0.737
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.071
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     421
_refine_ls_number_reflns         6634
_refine_ls_number_restraints     36
_refine_ls_restrained_S_all      1.093
_refine_ls_R_factor_all          0.0411
_refine_ls_R_factor_gt           0.0326
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0469P)^2^+1.8845P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0836
_refine_ls_wR_factor_ref         0.0877
_reflns_number_gt                5584
_reflns_number_total             6634
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            cv2575.cif
_cod_data_source_block           I
_cod_original_cell_volume        2901.9(16)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2222288
_cod_database_fobs_code          2222288