Direct lateral metallation using alkali-metal mediated zincation (AMMZn): SiC-H vs.Si-O bond cleavage.
Hevia, Eva; Kennedy, Alan R; Klett, Jan; McCall, Matthew D; Chemical communications (Cambridge, England) 34 (2009) 3240–3242; doi:10.1039/b903592c

data_7104503
_publ_section_title
;
 Direct lateral metallation using alkali-metal mediated zincation
 (AMMZn): SiC-H vs.Si-O bond cleavage.
;
_journal_issue                   22
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              3240
_journal_page_last               3242
_journal_paper_doi               10.1039/b903592c
_journal_volume                  34
_journal_year                    2009
_chemical_formula_sum            'C26 H48 Li N O2 Si Zn'
_chemical_formula_weight         507.05
_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                79.264(4)
_cell_angle_beta                 79.106(4)
_cell_angle_gamma                61.575(5)
_cell_formula_units_Z            2
_cell_length_a                   11.2813(5)
_cell_length_b                   11.3700(6)
_cell_length_c                   13.0987(6)
_cell_measurement_reflns_used    10346
_cell_measurement_temperature    123(2)
_cell_measurement_theta_max      30.56
_cell_measurement_theta_min      2.73
_cell_volume                     1441.91(12)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      123(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.890
_diffrn_measurement_device_type  'Oxford Diffraction Gemini S'
_diffrn_measurement_method       'omega scans'
_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  0.0326
_diffrn_reflns_av_sigmaI/netI    0.0484
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            20418
_diffrn_reflns_theta_full        27.00
_diffrn_reflns_theta_max         30.61
_diffrn_reflns_theta_min         2.73
_exptl_absorpt_coefficient_mu    0.913
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.93421
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.24 (release 21-04-2008 CrysAlis171 .NET)
(compiled Apr 21 2008,18:23:10)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.168
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       lump
_exptl_crystal_F_000             548
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.14
_refine_diff_density_max         0.462
_refine_diff_density_min         -0.356
_refine_diff_density_rms         0.056
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.967
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     324
_refine_ls_number_reflns         7908
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.967
_refine_ls_R_factor_all          0.0472
_refine_ls_R_factor_gt           0.0314
_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^)+(0.0376P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0695
_refine_ls_wR_factor_ref         0.0725
_reflns_number_gt                6081
_reflns_number_total             7908
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            b903592c.txt
_cod_data_source_block           eva13
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7104503