Gallium‒Gallium Bonds As Effective Templates for the Generation of Macrocycles and Supramolecular Entities
Uhl, Werner; Stefaniak, Christina; Voß, Matthias; Kösters, Jutta; Rogel, Friedhelm; Organometallics 31 (2012) 6988–; doi:10.1021/om3008025

data_4079536
_publ_section_title
;
 Gallium--Gallium Bonds As Effective Templates for the Generation of
 Macrocycles and Supramolecular Entities
;
_journal_issue                   19
_journal_name_full               Organometallics
_journal_page_first              6988
_journal_paper_doi               10.1021/om3008025
_journal_volume                  31
_journal_year                    2012
_chemical_formula_sum            'C92 H176 Ga8 N8 O9 Si16'
_chemical_formula_weight         2545.61
_chemical_name_systematic
; 
 ? 
;
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_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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_cell_angle_gamma                100.0370(10)
_cell_formula_units_Z            2
_cell_length_a                   19.9807(12)
_cell_length_b                   20.8609(12)
_cell_length_c                   23.5307(14)
_cell_measurement_reflns_used    35919
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      25.71
_cell_measurement_theta_min      0.88
_cell_volume                     9446.6(10)
_computing_cell_refinement       'Bruker SAINT+'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      153(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0858
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_diffrn_reflns_limit_k_min       -25
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_diffrn_reflns_theta_max         25.71
_diffrn_reflns_theta_min         0.88
_exptl_absorpt_coefficient_mu    1.257
_exptl_absorpt_correction_T_max  0.9172
_exptl_absorpt_correction_T_min  0.7871
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_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            clear
_exptl_crystal_density_diffrn    0.895
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
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_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.10
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_refine_diff_density_max         0.607
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_refine_ls_extinction_method     none
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_refine_ls_R_factor_all          0.0713
_refine_ls_R_factor_gt           0.0410
_refine_ls_shift/su_max          0.015
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0483P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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