Tris[2-(2-pyridyliminomethyl)phenolato(0.67{-})]europium(III) nitrate
Zhao, Qi-Hua; Chen, Hong-Yan; Li, Li-Nan; Xie, Ming-Jin; Acta Crystallographica Section E 65 (2009) m697–; doi:10.1107/S1600536809017206

data_2221918
_publ_section_title
;
 Tris[2-(2-pyridyliminomethyl)phenolato(0.67{-})]europium(III) nitrate
;
_journal_coeditor_code           BQ2130
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m697
_journal_paper_doi               10.1107/S1600536809017206
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          '[Eu (C12 H9.33 N2 O)3] N O3'
_chemical_formula_moiety         'C36 H28 Eu N6 O3 +, N O3 -'
_chemical_formula_sum            'C36 H28 Eu N7 O6'
_chemical_formula_weight         806.61
_chemical_name_systematic
;
Tris[2-(2-pyridyliminomethyl)phenolato(0.67-)]europium(III) nitrate
;
_space_group_IT_number           148
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_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                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            6
_cell_length_a                   14.0398(12)
_cell_length_b                   14.0398(12)
_cell_length_c                   28.509(5)
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.38
_cell_measurement_theta_min      1.87
_cell_volume                     4866.7(10)
_computing_cell_refinement       'SAINT (Bruker, 2004)'
_computing_data_collection       'APEX2 (Bruker, 2004)'
_computing_data_reduction        'SAINT (Bruker, 2004)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.950
_diffrn_measurement_device_type  'Bruker APEXII 1K CCD 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  0.0918
_diffrn_reflns_av_sigmaI/netI    0.0999
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       -37
_diffrn_reflns_number            10540
_diffrn_reflns_theta_full        27.5
_diffrn_reflns_theta_max         28.42
_diffrn_reflns_theta_min         1.82
_exptl_absorpt_coefficient_mu    1.993
_exptl_absorpt_correction_T_max  0.819
_exptl_absorpt_correction_T_min  0.706
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.651
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2424
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.111
_refine_diff_density_min         -0.901
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.000
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     155
_refine_ls_number_reflns         2599
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.000
_refine_ls_R_factor_all          0.1021
_refine_ls_R_factor_gt           0.0542
_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^)+(0.059P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1091
_refine_ls_wR_factor_ref         0.1276
_reflns_number_gt                1711
_reflns_number_total             2599
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bq2130.cif
_cod_data_source_block           I
_cod_original_cell_volume        4866.7(11)
_cod_original_sg_symbol_H-M      'R -3'
_cod_database_code               2221918
_cod_database_fobs_code          2221918