[<i>{μ</i>}-<i>N</i>,<i>N</i>'-Bis(2-oxidobenzylidene)-1,2-ethanediamine](methanol)trinitratocopper(II)europium(III)
Gao, Ting; Sun, Wen-Bin; Yan, Peng-Fei; Li, Guang-Ming; Hou, Guang-Feng; Acta Crystallographica Section E 63 (2007) m2201–m2202; doi:10.1107/S1600536807034903

data_2214815
_publ_section_title
'[<i>{\m</i>}-<i>N</i>,<i>N</i>'-Bis(2-oxidobenzylidene)-1,2-ethanediamine](methanol)trinitratocopper(II)europium(III)'
_journal_coeditor_code           NG2297
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2201
_journal_page_last               m2202
_journal_paper_doi               10.1107/S1600536807034903
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Cu Eu (C16 H14 N2 O2) (N O3)3 (C H4 O)]'
_chemical_formula_moiety         'C17 H17 Cu1 Eu1 N5 O12'
_chemical_formula_sum            'C17 H17 Cu Eu N5 O12'
_chemical_formula_weight         699.87
_chemical_name_systematic
;
{2,2'-[ethane-1,2-diylbis(nitrilomethylidyne)]diphenolato-
1\k^4^<i>O</i>^1^,<i>O</i>^1'^,<i>O</i>^6^,<i>O</i>^6'^:
2\k^4^<i>O</i>^1^,<i>N</i>,<i>N</i>',<i>O</i>^1'^}(methanol-
1\k<i>O</i>)trinitrato-1\k^6^<i>O</i>,<i>O</i>'-copper(II)europium(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                 102.451(12)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.223(4)
_cell_length_b                   10.363(3)
_cell_length_c                   18.414(5)
_cell_measurement_reflns_used    18713
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      54.93
_cell_measurement_theta_min      6.00
_cell_volume                     2277.6(12)
_computing_cell_refinement       RAPID-AUTO
_computing_data_collection       'RAPID-AUTO (Rigaku, 1998)'
_computing_data_reduction        'CrystalStructure (Rigaku/MSC, 2002)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 1997b)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997a)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997a)'
_diffrn_ambient_temperature      296(2)
_diffrn_detector_area_resol_mean 10.000
_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  0.0300
_diffrn_reflns_av_sigmaI/netI    0.0253
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            21558
_diffrn_reflns_theta_full        27.46
_diffrn_reflns_theta_max         27.46
_diffrn_reflns_theta_min         3.00
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.736
_exptl_absorpt_correction_T_max  0.5433
_exptl_absorpt_correction_T_min  0.3764
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 1995)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    2.041
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1372
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.19
_refine_diff_density_max         0.306
_refine_diff_density_min         -0.592
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.063
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     345
_refine_ls_number_reflns         5201
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.063
_refine_ls_R_factor_all          0.0254
_refine_ls_R_factor_gt           0.0213
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0142P)^2^+1.9917P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0455
_refine_ls_wR_factor_ref         0.0467
_reflns_number_gt                4693
_reflns_number_total             5201
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ng2297.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C17 H17 Cu1 Eu1 N5 O12'
_cod_database_code               2214815
_cod_database_fobs_code          2214815