(Methanol-κ<i>O</i>)bis{2-methoxy-6-[(4-methylphenyl)iminiomethyl]phenolato-κ^2^<i>O</i>,<i>O</i>'}tris(nitrato-κ^2^<i>O</i>,<i>O</i>')lanthanum(III)
Liu, Jia-Lu; Cai, Hai-Ting; Zhao, Guo-Liang; Acta Crystallographica Section E 66 (2010) m1332–m1333; doi:10.1107/S1600536810038109

data_2227173
_publ_section_title
;
 (Methanol-\k<i>O</i>)bis{2-methoxy-6-[(4-methylphenyl)iminiomethyl]phenolato-\k^2^<i>O</i>,<i>O</i>'}tris(nitrato-\k^2^<i>O</i>,<i>O</i>')lanthanum(III)
;
_journal_coeditor_code           BH2313
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1332
_journal_page_last               m1333
_journal_paper_doi               10.1107/S1600536810038109
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '[La (N O3)3 (C15 H15 N O2)2 (C H4 O)]'
_chemical_formula_moiety         'C31 H34 La N5 O14'
_chemical_formula_sum            'C31 H34 La N5 O14'
_chemical_formula_weight         839.54
_chemical_name_systematic
;
(Methanol-\k<i>O</i>)bis{2-methoxy-6-[(4-methylphenyl)iminiomethyl]phenolato-
\k^2^<i>O</i>,<i>O</i>'}tris(nitrato-\k^2^<i>O</i>,<i>O</i>')lanthanum(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                73.210(2)
_cell_angle_beta                 85.648(2)
_cell_angle_gamma                79.3200(10)
_cell_formula_units_Z            2
_cell_length_a                   7.8616(2)
_cell_length_b                   14.6502(5)
_cell_length_c                   16.6470(5)
_cell_measurement_reflns_used    9937
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.71
_cell_measurement_theta_min      1.47
_cell_volume                     1803.26(10)
_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  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'Bruker APEXII CCD area-detector'
_diffrn_measurement_method       '\f and \w 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  0.0243
_diffrn_reflns_av_sigmaI/netI    0.0246
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            30011
_diffrn_reflns_theta_full        27.71
_diffrn_reflns_theta_max         27.71
_diffrn_reflns_theta_min         1.47
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    1.257
_exptl_absorpt_correction_T_max  0.783
_exptl_absorpt_correction_T_min  0.634
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.546
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             848
_exptl_crystal_size_max          0.433
_exptl_crystal_size_mid          0.309
_exptl_crystal_size_min          0.195
_refine_diff_density_max         1.226
_refine_diff_density_min         -0.506
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.078
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     473
_refine_ls_number_reflns         8464
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.078
_refine_ls_R_factor_all          0.0391
_refine_ls_R_factor_gt           0.0337
_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^)+(0.0579P)^2^+0.8812P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0980
_refine_ls_wR_factor_ref         0.1014
_reflns_number_gt                7465
_reflns_number_total             8464
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bh2313.cif
_cod_data_source_block           I
_cod_original_cell_volume        1803.26(9)
_cod_database_code               2227173
_cod_database_fobs_code          2227173