Donor-Dictated Interlocking Co-Complexation Reactions of LiNHDipp with Dimethylzinc: Synthesis and Structures of New Methyl(amido)zincates
Clegg, William; Graham, David V.; Herd, Emma; Hevia, Eva; Kennedy, Alan R.; McCall, Matthew D.; Russo, Luca; Inorganic Chemistry 48 (2009) 5320–5327; doi:10.1021/ic900313b

data_4302350
_publ_section_title
;
 Donor-Dictated Interlocking Co-Complexation Reactions of LiNHDipp with
 Dimethylzinc: Synthesis and Structures of New Methyl(amido)zincates
;
_journal_coden_ASTM              INOCAJ
_journal_issue                   12
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5320
_journal_page_last               5327
_journal_paper_doi               10.1021/ic900313b
_journal_volume                  48
_journal_year                    2009
_chemical_formula_moiety         'C23 H47 Li N4 Zn, 0.5 C7 H8'
_chemical_formula_sum            'C26.5 H51 Li N4 Zn'
_chemical_formula_weight         498.02
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                91.976(7)
_cell_angle_beta                 101.641(8)
_cell_angle_gamma                104.928(7)
_cell_formula_units_Z            2
_cell_length_a                   9.6061(10)
_cell_length_b                   9.8717(07)
_cell_length_c                   16.5903(17)
_cell_measurement_reflns_used    6781
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      2.5
_cell_volume                     1482.6(3)
_computing_cell_refinement       EvalCCD
_computing_data_collection       'Nonius COLLECT'
_computing_data_reduction        EvalCCD
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL and local programs'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Nonius KappaCCD diffractometer'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0327
_diffrn_reflns_av_sigmaI/netI    0.0250
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            21036
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         5.29
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.847
_exptl_absorpt_correction_T_max  0.734
_exptl_absorpt_correction_T_min  0.626
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.116
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             542
_exptl_crystal_size_max          0.61
_exptl_crystal_size_mid          0.48
_exptl_crystal_size_min          0.39
_refine_diff_density_max         0.352
_refine_diff_density_min         -0.210
_refine_diff_density_rms         0.038
_refine_ls_extinction_coef       0.0074(17)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     323
_refine_ls_number_reflns         5171
_refine_ls_number_restraints     99
_refine_ls_restrained_S_all      1.056
_refine_ls_R_factor_all          0.0331
_refine_ls_R_factor_gt           0.0275
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0333P)^2^+0.5902P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0702
_refine_ls_wR_factor_ref         0.0742
_reflns_number_gt                4648
_reflns_number_total             5171
_reflns_threshold_expression     I>2\s(I)
_cod_duplicate_entry             4338611
_cod_data_source_file            ic900313b_si_002_2.cif
_cod_data_source_block           rem428_compound2
_cod_original_cell_volume        1482.6(2)
_cod_original_formula_sum        'C26.50 H51 Li N4 Zn'
_cod_database_code               4302350