Facile synthesis and structural variation of novel heterobimetallic alkali metal?zinc-alkoxide and -siloxide clustersElectronic supplementary information (ESI) available: the ESI spectra of the reaction mixtures tBuOLi + ZnMe2, Me3SiOK + ZnMe2 and tBuOK + ZnMe2. See http://www.rsc.org/suppdata/dt/b3/b302585c/
Merz, Klaus; Block, Stefan; Schoenen, Robert; Driess, Matthias; Dalton Transactions  (2003) 3365–; doi:10.1039/b302585c

data_7012921
_publ_section_title
;
 Facile synthesis and structural variation of novel heterobimetallic
 alkali metal?zinc-alkoxide and -siloxide clustersElectronic
 supplementary information (ESI) available: the ESI spectra of the
 reaction mixtures tBuOLi + ZnMe2, Me3SiOK + ZnMe2 and tBuOK + ZnMe2.
 See http://www.rsc.org/suppdata/dt/b3/b302585c/
;
_journal_issue                   17
_journal_name_full               'Dalton Transactions'
_journal_page_first              3365
_journal_paper_doi               10.1039/b302585c
_journal_year                    2003
_chemical_formula_sum            'C30 H74 K2 O8 Si4 Zn2'
_chemical_formula_weight         884.19
_space_group_IT_number           33
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   24.379(4)
_cell_length_b                   13.394(3)
_cell_length_c                   15.094(3)
_cell_measurement_reflns_used    62
_cell_measurement_temperature    213(2)
_cell_measurement_theta_max      17.6
_cell_measurement_theta_min      5.3
_cell_volume                     4928.7(17)
_computing_cell_refinement       'SAINT (Siemens, 1996)'
_computing_data_collection       'SMART (Siemens, 1996)'
_computing_data_reduction        'SAINT (Siemens, 1996)'
_computing_molecular_graphics    'SHELXTL (Siemens, 1997)'
_computing_publication_material  'SHELXTL (Siemens, 1997)'
_computing_structure_refinement  'SHELXTL (Siemens, 1997)'
_computing_structure_solution    'SHELXTL (Siemens, 1997)'
_diffrn_ambient_temperature      213(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker axs CCD 1000'
_diffrn_measurement_method       omega-scan
_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  0.0484
_diffrn_reflns_av_sigmaI/netI    0.0604
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            26363
_diffrn_reflns_theta_full        25.04
_diffrn_reflns_theta_max         25.04
_diffrn_reflns_theta_min         2.03
_exptl_absorpt_coefficient_mu    1.275
_exptl_absorpt_correction_T_max  0.880
_exptl_absorpt_correction_T_min  0.858
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.192
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1888
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.321
_refine_diff_density_min         -0.485
_refine_diff_density_rms         0.068
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.024(14)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     416
_refine_ls_number_reflns         8568
_refine_ls_number_restraints     161
_refine_ls_restrained_S_all      1.057
_refine_ls_R_factor_all          0.0754
_refine_ls_R_factor_gt           0.0446
_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^)+(0.0335P)^2^+4.1141P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0944
_refine_ls_wR_factor_ref         0.1095
_reflns_number_gt                6255
_reflns_number_total             8568
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b302585c.txt
_cod_data_source_block           orota
_cod_original_cell_volume        4928.9(16)
_cod_original_sg_symbol_H-M      Pna2(1)
_cod_database_code               7012921