New supramolecular assemblies in heterobimetallic chemistry: synthesis of a homologous series of unsolvated alkali-metal zincates.
Armstrong, David R.; Emerson, Helena S.; Hernán-Gómez, Alberto; Kennedy, Alan R.; Hevia, Eva; Dalton transactions (Cambridge, England : 2003) 43 (2014) 14229–14238; doi:10.1039/c4dt01131g

data_7030941
_publ_section_title
;
 New supramolecular assemblies in heterobimetallic chemistry: synthesis of
 a homologous series of unsolvated alkali-metal zincates.
;
_journal_issue                   38
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              14229
_journal_page_last               14238
_journal_paper_doi               10.1039/c4dt01131g
_journal_volume                  43
_journal_year                    2014
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'C12 H33 Li1 Si3 Zn1'
_chemical_formula_sum            'C12 H33 Li Si3 Zn'
_chemical_formula_weight         333.96
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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_audit_creation_date             2012-07-31T18:01:07-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 99.070(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.60860(10)
_cell_length_b                   19.8732(4)
_cell_length_c                   15.9308(4)
_cell_measurement_reflns_used    7687
_cell_measurement_temperature    123(2)
_cell_measurement_theta_max      73.0388
_cell_measurement_theta_min      3.5803
_cell_measurement_wavelength     1.5418
_cell_volume                     2066.10(7)
_computing_cell_refinement
;
        CrysAlisPro, Agilent Technologies,
        Version 1.171.34.46 (release 25-11-2010 CrysAlis171 .NET)
        (compiled Nov 25 2010,17:55:46)
;
_computing_data_collection
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        CrysAlisPro, Agilent Technologies,
        Version 1.171.34.46 (release 25-11-2010 CrysAlis171 .NET)
        (compiled Nov 25 2010,17:55:46)
;
_computing_data_reduction
;
        CrysAlisPro, Agilent Technologies,
        Version 1.171.34.46 (release 25-11-2010 CrysAlis171 .NET)
        (compiled Nov 25 2010,17:55:46)
;
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
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_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      123(2)
_diffrn_detector_area_resol_mean 16.0268
_diffrn_measured_fraction_theta_full 1
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Xcalibur, Sapphire3, Gemini'
_diffrn_measurement_method       '\w scans'
_diffrn_orient_matrix_UB_11      0.0556519
_diffrn_orient_matrix_UB_12      0.0081545
_diffrn_orient_matrix_UB_13      0.0971144
_diffrn_orient_matrix_UB_21      -0.0621965
_diffrn_orient_matrix_UB_22      -0.0736317
_diffrn_orient_matrix_UB_23      0.0122177
_diffrn_orient_matrix_UB_31      0.2207418
_diffrn_orient_matrix_UB_32      -0.0227802
_diffrn_orient_matrix_UB_33      -0.0044827
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'Enhance (Cu) X-ray Source'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.5418
_diffrn_reflns_av_R_equivalents  0.0369
_diffrn_reflns_av_unetI/netI     0.0277
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -5
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            19027
_diffrn_reflns_theta_full        70
_diffrn_reflns_theta_max         73.19
_diffrn_reflns_theta_min         3.58
_exptl_absorpt_coefficient_mu    3.157
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.70216
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
        CrysAlisPro, Agilent Technologies,
        Version 1.171.34.46 (release 25-11-2010 CrysAlis171 .NET)
        (compiled Nov 25 2010,17:55:46)
        Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.074
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plates
_exptl_crystal_F_000             720
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.38
_refine_diff_density_min         -0.297
_refine_diff_density_rms         0.058
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.02
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     187
_refine_ls_number_reflns         4119
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.02
_refine_ls_R_factor_all          0.0387
_refine_ls_R_factor_gt           0.0306
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0473P)^2^+0.1166P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0735
_refine_ls_wR_factor_ref         0.0781
_reflns_number_gt                3464
_reflns_number_total             4119
_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            c4dt01131g2.cif
_cod_data_source_block           import1
_cod_depositor_comments
'Adding full bibliography for 7030941--7030945.cif.'
_cod_database_code               7030941