Bis{[6-methoxy-2-(4-methylphenyl)iminiomethyl]phenolate-κ^2^<i>O</i>,<i>O</i>'}tris(nitrato-κ^2^<i>O</i>,<i>O</i>')europium(III)
Guo, Hang-Ming; Acta Crystallographica Section E 66 (2010) m1445–; doi:10.1107/S1600536810042194

data_2227615
_publ_section_title
;
 Bis{[6-methoxy-2-(4-methylphenyl)iminiomethyl]phenolate-\k^2^<i>O</i>,<i>O</i>'}tris(nitrato-\k^2^<i>O</i>,<i>O</i>')europium(III)
;
_journal_coeditor_code           HG2728
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1445
_journal_paper_doi               10.1107/S1600536810042194
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '[Eu (N O3)3 (C15 H15 N O2)2]'
_chemical_formula_moiety         'C30 H30 Eu N5 O13'
_chemical_formula_sum            'C30 H30 Eu N5 O13'
_chemical_formula_weight         820.55
_chemical_name_systematic
;
Bis{[6-methoxy-2-(4-methylphenyl)iminiomethyl]phenolate-
\k^2^<i>O</i>,<i>O</i>'}tris(nitrato-\k^2^<i>O</i>,<i>O</i>')europium(III)
;
_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                98.165(6)
_cell_angle_beta                 101.665(6)
_cell_angle_gamma                106.681(4)
_cell_formula_units_Z            2
_cell_length_a                   9.7603(7)
_cell_length_b                   10.0250(7)
_cell_length_c                   18.4227(16)
_cell_measurement_reflns_used    4647
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.67
_cell_measurement_theta_min      1.16
_cell_volume                     1652.2(2)
_computing_cell_refinement       'SAINT (Bruker, 2006)'
_computing_data_collection       'APEX2 (Bruker, 2006)'
_computing_data_reduction        'SAINT (Bruker, 2006)'
_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      296(2)
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'Bruker APEXII area-detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0513
_diffrn_reflns_av_sigmaI/netI    0.0579
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            26273
_diffrn_reflns_theta_full        27.67
_diffrn_reflns_theta_max         27.67
_diffrn_reflns_theta_min         1.16
_exptl_absorpt_coefficient_mu    1.971
_exptl_absorpt_correction_T_max  0.892
_exptl_absorpt_correction_T_min  0.801
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.649
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             824
_exptl_crystal_size_max          0.175
_exptl_crystal_size_mid          0.094
_exptl_crystal_size_min          0.058
_refine_diff_density_max         0.851
_refine_diff_density_min         -0.689
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.991
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     442
_refine_ls_number_reflns         7610
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.991
_refine_ls_R_factor_all          0.0641
_refine_ls_R_factor_gt           0.0399
_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^)+(0.0460P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0841
_refine_ls_wR_factor_ref         0.0941
_reflns_number_gt                5570
_reflns_number_total             7610
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            hg2728.cif
_cod_data_source_block           I
_cod_database_code               2227615
_cod_database_fobs_code          2227615