[<i>N</i>-((<i>E</i>)-2-{[2-(Dimethylamino)ethyl]iminomethyl}phenyl)-<i>N</i>-(2,6-dimethylphenyl)anilinido-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'']ethylzinc
Issa-Madongo, Mathurin; Mu, Ying; Acta Crystallographica Section E 67 (2011) m364–; doi:10.1107/S1600536811005514

data_2229321
_publ_section_title
;
 [<i>N</i>-((<i>E</i>)-2-{[2-(Dimethylamino)ethyl]iminomethyl}phenyl)-<i>N</i>-(2,6-dimethylphenyl)anilinido-\k^3^<i>N</i>,<i>N</i>',<i>N</i>'']ethylzinc
;
_journal_coeditor_code           BH2336
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m364
_journal_paper_doi               10.1107/S1600536811005514
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Zn (C2 H5) (C19 H24 N3)]'
_chemical_formula_moiety         'C21 H29 N3 Zn'
_chemical_formula_sum            'C21 H29 N3 Zn'
_chemical_formula_weight         388.84
_chemical_name_systematic
;
[<i>N</i>-((<i>E</i>)-2-{[2-(Dimethylamino)ethyl]iminomethyl}phenyl)-
<i>N</i>-(2,6-dimethylphenyl)anilinido-
\k^3^<i>N</i>,<i>N</i>',<i>N</i>'']ethylzinc
;
_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                 99.26(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.3664(15)
_cell_length_b                   13.849(3)
_cell_length_c                   20.296(4)
_cell_measurement_reflns_used    10491
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      54.92
_cell_measurement_theta_min      6.23
_cell_volume                     2043.6(7)
_computing_cell_refinement       'RAPID-AUTO (Rigaku, 1998)'
_computing_data_collection       'RAPID-AUTO (Rigaku, 1998)'
_computing_data_reduction        'CrystalStructure (Rigaku/MSC, 2002)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.977
_diffrn_measured_fraction_theta_max 0.977
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1155
_diffrn_reflns_av_sigmaI/netI    0.1049
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            18874
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.11
_exptl_absorpt_coefficient_mu    1.209
_exptl_absorpt_correction_T_max  0.8028
_exptl_absorpt_correction_T_min  0.7684
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 1995)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.264
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             824
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.19
_refine_diff_density_max         0.984
_refine_diff_density_min         -0.626
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.961
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     231
_refine_ls_number_reflns         4571
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.961
_refine_ls_R_factor_all          0.1260
_refine_ls_R_factor_gt           0.0714
_refine_ls_shift/su_max          0.023
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0970P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1577
_refine_ls_wR_factor_ref         0.1890
_reflns_number_gt                2619
_reflns_number_total             4571
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bh2336.cif
_cod_data_source_block           I
_cod_original_cell_volume        2043.5(7)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2229321
_cod_database_fobs_code          2229321