Monomerizing Alkali-Metal 3,5-Dimethylbenzyl Salts with Tris(N,N-dimethyl-2-aminoethyl)amine (Me6TREN): Structural and Bonding Implications
David R. Armstrong; Matthew G. Davidson; Daniel Garcia-Vivo; Alan R. Kennedy; Robert E. Mulvey; Stuart D. Robertson; Inorganic Chemistry 52 (2013) 12023–12032; doi:10.1021/ic401777x

data_4336444
_publ_section_title
;
 Monomerizing Alkali-Metal 3,5-Dimethylbenzyl Salts with
 Tris(N,N-dimethyl-2-aminoethyl)amine (Me6TREN): Structural and Bonding
 Implications
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              12023
_journal_page_last               12032
_journal_paper_doi               10.1021/ic401777x
_journal_volume                  52
_journal_year                    2013
_chemical_formula_moiety         'C21 H41 N4 Na'
_chemical_formula_sum            'C21 H41 N4 Na'
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_chemical_name_systematic
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 ? 
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CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.40 (release 27-08-2010 CrysAlis171 .NET)
(compiled Aug 27 2010,11:50:40)
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_computing_data_collection
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CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.40 (release 27-08-2010 CrysAlis171 .NET)
(compiled Aug 27 2010,11:50:40)
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CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.40 (release 27-08-2010 CrysAlis171 .NET)
(compiled Aug 27 2010,11:50:40)
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
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_diffrn_ambient_temperature      123(2)
_diffrn_measured_fraction_theta_full 0.998
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_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         30.15
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CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.40 (release 27-08-2010 CrysAlis171 .NET)
(compiled Aug 27 2010,11:50:40)
empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
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_exptl_crystal_colour            yellow
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_refine_ls_extinction_method     none
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_refine_ls_number_parameters     251
_refine_ls_number_reflns         6123
_refine_ls_number_restraints     0
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_refine_ls_R_factor_all          0.0674
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0488P)^2^+0.5874P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                4622
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_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            ic401777x_si_002_2.cif
_cod_data_source_block           sdr1110a
_cod_original_cell_volume        2341.0(2)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4336444