Cooperative cation and anion coordination by a bifunctional imidophosphorane ligand framework; syntheses and structures of [LiCl{ButNHP(μ-NBut)2PNH(2-py)}3] and [{ButNP(μ-NBut)2PN(2-py)} Li2·{Li(ButN)2P}]
Bond, Andrew D.; Doyle, Emma L.; Kidd, Sara J.; Woods, Anthony D.; Wright, Dominic S.; Chemical Communications  (2001) 777–; doi:10.1039/b010093p

data_7114954
_publ_section_title
;
 Cooperative cation and anion coordination by a bifunctional
 imidophosphorane ligand framework; syntheses and structures of
 [LiCl{ButNHP(\m-NBut)2PNH(2-py)}3] and [{ButNP(\m-NBut)2PN(2-py)}
 Li2&#x00B7;{Li(ButN)2P}]
;
_journal_issue                   8
_journal_name_full               'Chemical Communications'
_journal_page_first              777
_journal_paper_doi               10.1039/b010093p
_journal_year                    2001
_chemical_formula_moiety         'C25 H49 Li3 N7 P3'
_chemical_formula_sum            'C25 H49 Li3 N7 P3'
_chemical_formula_weight         561.44
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 98.535(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.1197(5)
_cell_length_b                   10.5016(4)
_cell_length_c                   18.8343(4)
_cell_measurement_reflns_used    14082
_cell_measurement_temperature    180(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      1.00
_cell_volume                     3348.61(18)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_collection       'Collect (Nonius B.V. 1998)'
_computing_data_reduction
;
HKL Denzo and Scalepack (Otwinowski & Minor 1997)
;
_computing_publication_material  'SHELXL-97 (Sheldrick 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 1990)'
_diffrn_ambient_temperature      180(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Nonius Kappa CCD'
_diffrn_measurement_method       'Thin slice \w and \f scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0665
_diffrn_reflns_av_sigmaI/netI    0.0588
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            24258
_diffrn_reflns_theta_full        27.46
_diffrn_reflns_theta_max         27.46
_diffrn_reflns_theta_min         3.57
_exptl_absorpt_coefficient_mu    0.202
_exptl_absorpt_correction_T_max  0.976
_exptl_absorpt_correction_T_min  0.793
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Sortav Blessing (1995)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.114
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1208
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.12
_refine_diff_density_max         1.049
_refine_diff_density_min         -0.866
_refine_diff_density_rms         0.073
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     337
_refine_ls_number_reflns         7577
_refine_ls_number_restraints     36
_refine_ls_restrained_S_all      1.057
_refine_ls_R_factor_all          0.1015
_refine_ls_R_factor_gt           0.0723
_refine_ls_shift/su_max          0.049
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0953P)^2^+4.3916P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1848
_refine_ls_wR_factor_ref         0.2071
_reflns_number_gt                5454
_reflns_number_total             7577
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b010093p.txt
_cod_data_source_block           dw0051
_cod_original_sg_symbol_H-M      'P 1 2(1)/c 1'
_cod_database_code               7114954