Tris(<i>N</i>-{bis-[meth-yl(phen-yl)amino]-phosphor-yl}benzene-sulfonamidato-κ<sup>2</sup><i>O</i>,<i>O</i>')(1,10-phenanthroline-κ<sup>2</sup><i>N</i>,<i>N</i>')lanthanum(III).
Prytula-Kurkunova, Angelina Yu; Trush, Victor A.; Dyakonenko, Viktoriya V.; Sliva, Tetyana Yu; Amirkhanov, Vladimir M.; Acta crystallographica. Section E, Crystallographic communications 73 (2017) 1076–1081; doi:10.1107/S2056989017008970

data_2311393
_publ_section_title
;
 Tris(<i>N</i>-{bis-[meth-yl(phen-yl)amino]-phosphor-yl}benzene-sulfonamidato-\k<sup>2</sup><i>O</i>,<i>O</i>')(1,10-phenanthroline-\k<sup>2</sup><i>N</i>,<i>N</i>')lanthanum(III).
;
_journal_issue                   'Pt 7'
_journal_name_full
'Acta crystallographica. Section E, Crystallographic communications'
_journal_page_first              1076
_journal_page_last               1081
_journal_paper_doi               10.1107/S2056989017008970
_journal_volume                  73
_journal_year                    2017
_chemical_formula_iupac          '[La (C20 H21 N3 O3 P S)3 (C12 H8 N2)]'
_chemical_formula_moiety         'C72 H71 La N11 O9 P3 S3'
_chemical_formula_sum            'C72 H71 La N11 O9 P3 S3'
_chemical_formula_weight         1562.39
_chemical_name_systematic
Tris(<i>N</i>-{bis[methyl(phenyl)amino]phosphoryl}benzenesulfonamidato-\k^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline-\k^2^<i>N</i>,<i>N</i>')lanthanum(III)
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method
;
Olex2 1.2
(compiled 2017.03.28 svn.r3405 for OlexSys, GUI svn.r5337)
;
_cell_angle_alpha                90
_cell_angle_beta                 108.222(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.2213(2)
_cell_length_b                   42.2455(7)
_cell_length_c                   15.5956(3)
_cell_measurement_reflns_used    14527
_cell_measurement_temperature    293
_cell_measurement_theta_max      27.6432
_cell_measurement_theta_min      2.8872
_cell_volume                     7648.1(2)
_computing_cell_refinement
;
CrysAlis PRO (Agilent, 2016)
;
_computing_data_collection
;
CrysAlis PRO (Agilent, 2016)
;
_computing_data_reduction
;
CrysAlis PRO (Agilent, 2016)
;
_computing_molecular_graphics
;
<i>OLEX2</i> (Dolomanov <i>et al.</i>,  2009)
;
_computing_publication_material
;
<i>OLEX2</i> (Dolomanov <i>et al.</i>,  2009)
;
_computing_structure_refinement
;
SHELXL2016 (Sheldrick, 2015b)
;
_computing_structure_solution
;
SHELXT (Sheldrick, 2015a)
;
_diffrn_ambient_temperature      293
_diffrn_detector_area_resol_mean 16.1827
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.922
_diffrn_measurement_device_type  'Agilent Xcalibur Sapphire3'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0272
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       55
_diffrn_reflns_limit_k_min       -49
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            43241
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         27.704
_diffrn_reflns_theta_min         2.914
_exptl_absorpt_coefficient_mu    0.764
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.96258
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(CrysAlis PRO; Agilent, 2016)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.357
_exptl_crystal_description       block
_exptl_crystal_F_000             3208
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.658
_refine_diff_density_min         -0.484
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.077
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1015
_refine_ls_number_reflns         16526
_refine_ls_number_restraints     576
_refine_ls_restrained_S_all      1.073
_refine_ls_R_factor_all          0.0652
_refine_ls_R_factor_gt           0.0467
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0547P)^2^+4.2326P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1104
_refine_ls_wR_factor_ref         0.1193
_reflns_number_gt                13120
_reflns_number_total             16526
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            zl2701sup1.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2311393
_shelx_hkl_checksum              61469
_shelx_res_checksum              50150