Bis(μ-<i>N</i>-acetyl-<i>N</i>-phenylglycinato-κ^2^<i>O</i>:<i>O</i>')bis[dinitrato-κ^4^<i>O</i>,<i>O</i>'-bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')lanthanum(III)]
Gao, Xiaonan; Acta Crystallographica Section E 65 (2009) m59–; doi:10.1107/S1600536808038075

data_2220530
_publ_section_title
Bis(\m-<i>N</i>-acetyl-<i>N</i>-phenylglycinato-\k^2^<i>O</i>:<i>O</i>')bis[dinitrato-\k^4^<i>O</i>,<i>O</i>'-bis(1,10-phenanthroline-\k^2^<i>N</i>,<i>N</i>')lanthanum(III)]
_journal_coeditor_code           HK2563
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m59
_journal_paper_doi               10.1107/S1600536808038075
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          '[La2 (C10 H10 N O3)2 (N O3)4 (C12 H8 N2)4]'
_chemical_formula_moiety         'C68 H52 La2 N14 O18'
_chemical_formula_sum            'C68 H52 La2 N14 O18'
_chemical_formula_weight         1631.06
_chemical_name_systematic
;
Bis(\m-<i>N</i>-acetyl-<i>N</i>-phenylglycinato-
\k^2^<i>O</i>:<i>O</i>')bis[dinitrato-\k^4^<i>O</i>,<i>O</i>'-bis(1,10-
phenanthroline-\k^2^<i>N</i>,<i>N</i>')lanthanum(III)]
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL97
_cell_angle_alpha                90.00
_cell_angle_beta                 100.1210(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   14.0891(7)
_cell_length_b                   13.7610(7)
_cell_length_c                   16.9962(9)
_cell_measurement_reflns_used    6044
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.45
_cell_measurement_theta_min      2.28
_cell_volume                     3243.9(3)
_computing_cell_refinement       'SAINT (Bruker, 1997)'
_computing_data_collection       'SMART (Bruker, 1997)'
_computing_data_reduction        'SAINT (Bruker, 1997)'
_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 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker SMART 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  0.0308
_diffrn_reflns_av_sigmaI/netI    0.0366
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            16038
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.92
_exptl_absorpt_coefficient_mu    1.386
_exptl_absorpt_correction_T_max  0.543
_exptl_absorpt_correction_T_min  0.574
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 1997)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.670
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1632
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.43
_exptl_crystal_size_min          0.40
_refine_diff_density_max         0.701
_refine_diff_density_min         -0.417
_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     461
_refine_ls_number_reflns         5719
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.063
_refine_ls_R_factor_all          0.0423
_refine_ls_R_factor_gt           0.0254
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0228P)^2^+0.722P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0514
_refine_ls_wR_factor_ref         0.0587
_reflns_number_gt                4467
_reflns_number_total             5719
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hk2563.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2220530
_cod_database_fobs_code          2220530