<i>catena</i>-Poly[{μ-η^5^:η^5^-1-[2-(dimethylamino)ethyl-κ<i>N</i>]cyclopentadienyl}-lithium(I)-(μ-1,1,3,3-tetra-<i>tert</i>-butyltriphosphane-κ^3^<i>P</i>^2^:<i>P</i>^1^,<i>P</i>^3^)lithium(I)]
Grubba, Rafal; Chojnacki, Jaroslaw; Pikies, Jerzy; Acta Crystallographica Section E 66 (2010) m1403–; doi:10.1107/S1600536810039759

data_2227243
_publ_section_title
;
 <i>catena</i>-Poly[{\m-\h^5^:\h^5^-1-[2-(dimethylamino)ethyl-\k<i>N</i>]cyclopentadienyl}-lithium(I)-(\m-1,1,3,3-tetra-<i>tert</i>-butyltriphosphane-\k^3^<i>P</i>^2^:<i>P</i>^1^,<i>P</i>^3^)lithium(I)]
;
_journal_coeditor_code           BT5361
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1403
_journal_paper_doi               10.1107/S1600536810039759
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '[Li2 (C9 H14 N) (C16 H36 P3)]'
_chemical_formula_moiety         'C25 H50 Li2 N1 P3'
_chemical_formula_sum            'C25 H50 Li2 N P3'
_chemical_formula_weight         471.45
_chemical_name_systematic
;
<i>catena</i>-Poly[{\m-\h^5^:\h^5^-1-[2-(dimethylamino)ethyl-
\k<i>N</i>]cyclopentadienyl}-lithium(I)-(\m-1,1,3,3-tetra-<i>tert</i>-
butyltriphosphane-\k^3^<i>P</i>^2^:<i>P</i>^1^,<i>P</i>^3^)lithium(I)]
;
_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
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.4
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 115.314(6)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.9063(6)
_cell_length_b                   18.8522(8)
_cell_length_c                   19.3934(17)
_cell_measurement_reflns_used    9383
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      32.4382
_cell_measurement_theta_min      2.4423
_cell_volume                     2943.5(4)
_computing_cell_refinement       'CrysAlis Pro (Oxford Diffraction, 2009)'
_computing_data_collection       'CrysAlis Pro (Oxford Diffraction, 2009)'
_computing_data_reduction        'CrysAlis Pro (Oxford Diffraction, 2009)'
_computing_molecular_graphics    'ORTEP-3 (Farrugia, 1997)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      120(2)
_diffrn_detector_area_resol_mean 8.1883
_diffrn_measured_fraction_theta_full 0.919
_diffrn_measured_fraction_theta_max 0.919
_diffrn_measurement_device_type
;
Oxford Diffraction Xcalibur diffractometer with a Sapphire2
(large Be window) detector
;
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0932
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            14505
_diffrn_reflns_theta_full        25.1
_diffrn_reflns_theta_max         25.1
_diffrn_reflns_theta_min         2.45
_exptl_absorpt_coefficient_mu    0.214
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.73356
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(CrysAlis Pro; Oxford Diffraction, 2009)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.064
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1032
_exptl_crystal_size_max          0.44
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.2
_refine_diff_density_max         0.721
_refine_diff_density_min         -0.61
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.13
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     294
_refine_ls_number_reflns         4818
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.13
_refine_ls_R_factor_all          0.1302
_refine_ls_R_factor_gt           0.0953
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0825P)^2^+14.0784P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2357
_refine_ls_wR_factor_ref         0.2584
_reflns_number_gt                3492
_reflns_number_total             4818
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bt5361.cif
_cod_data_source_block           I
_cod_original_cell_volume        2943.5(3)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C25 H50 Li2 N1 P3'
_cod_database_code               2227243
_cod_database_fobs_code          2227243