<i>catena</i>-Poly[neodymate(III)bis[μ-dimethyl(phenylsulfonyl)amidophosphato]sodium(I)bis[μ-dimethyl(phenylsulfonyl)amidophosphato]]
Olesia V. Moroz; Svitlana V. Shishkina; Viktor A. Trush; Tetyana Yu. Sliva; Volodymyr M. Amirkhanov; Acta Crystallographica Section E 63 (2007) m3175–m3176; doi:10.1107/S1600536807060023

data_2216395
_publ_section_title
<i>catena</i>-Poly[neodymate(III)bis[\m-dimethyl(phenylsulfonyl)amidophosphato]sodium(I)bis[\m-dimethyl(phenylsulfonyl)amidophosphato]]
_journal_coeditor_code           CV2351
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m3175
_journal_page_last               m3176
_journal_paper_doi               10.1107/S1600536807060023
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Na Nd (C8 H11 N O5 P S)4]'
_chemical_formula_moiety         'C32 H44 N4 Na Nd O20 P4 S4'
_chemical_formula_sum            'C32 H44 N4 Na Nd O20 P4 S4'
_chemical_formula_weight         1224.10
_chemical_name_systematic
;
catena-Poly[neodymate(III)bis[\m-dimethyl(phenylsulfonyl)amidophosphato]-\
sodium(I)bis[\m-dimethyl(phenylsulfonyl)amidophosphato]]
;
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_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                90.00
_cell_formula_units_Z            8
_cell_length_a                   20.276(2)
_cell_length_b                   21.9129(9)
_cell_length_c                   22.058(2)
_cell_measurement_reflns_used    18882
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      35.7
_cell_measurement_theta_min      2.8
_cell_volume                     9800.5(14)
_computing_cell_refinement       'CrysAlis RED (Oxford Diffraction, 2006)'
_computing_data_collection       'CrysAlis CCD (Oxford Diffraction, 2006)'
_computing_data_reduction        'CrysAlis RED (Oxford Diffraction, 2006)'
_computing_molecular_graphics    'ORTEP-3 (Farrugia, 1997)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 16.1827
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Oxford Diffraction Xcalibur-3'
_diffrn_measurement_method       \w-scans
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0472
_diffrn_reflns_av_sigmaI/netI    0.0831
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            104650
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         32.50
_diffrn_reflns_theta_min         2.62
_diffrn_standards_interval_count 50
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    1.445
_exptl_absorpt_correction_T_max  0.855
_exptl_absorpt_correction_T_min  0.705
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Blessing, 1995)'
_exptl_crystal_colour            violet
_exptl_crystal_density_diffrn    1.659
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             4952
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_refine_diff_density_max         4.500
_refine_diff_density_min         -1.952
_refine_ls_abs_structure_details 'Flack (1983), 15958 Friedel pairs'
_refine_ls_abs_structure_Flack   -0.063(8)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.895
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1189
_refine_ls_number_reflns         34763
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.895
_refine_ls_R_factor_all          0.1085
_refine_ls_R_factor_gt           0.0535
_refine_ls_shift/su_max          0.078
_refine_ls_shift/su_mean         0.003
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0935P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1286
_refine_ls_wR_factor_ref         0.1518
_reflns_number_gt                20694
_reflns_number_total             34763
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cv2351.cif
_cod_data_source_block           I
_cod_database_code               2216395
_cod_database_fobs_code          2216395