Steric Control between Neutral Metal-Only Lewis Pairs and Metal-Stabilized Gallenium and Gallinium Cations
Braunschweig, Holger; Dewhurst, Rian D.; Schneider, Christoph; Organometallics 35 (2016) 1002–; doi:10.1021/acs.organomet.6b00045

data_4088380
_publ_section_title
;
 Steric Control between Neutral Metal-Only Lewis Pairs and
 Metal-Stabilized Gallenium and Gallinium Cations
;
_journal_issue                   7
_journal_name_full               Organometallics
_journal_page_first              1002
_journal_paper_doi               10.1021/acs.organomet.6b00045
_journal_volume                  35
_journal_year                    2016
_chemical_formula_moiety         'C39 H66 Fe O3 P2'
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_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
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_atom_sites_solution_secondary   difmap
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_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.509(6)
_cell_length_b                   12.270(4)
_cell_length_c                   19.698(5)
_cell_measurement_reflns_used    7344
_cell_measurement_temperature    100(2)
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_cell_measurement_theta_min      2.64
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_diffrn_ambient_temperature      100(2)
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_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Bruker D8 Quest'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  'multi-layer mirror'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_limit_h_max       19
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_diffrn_source                   'microfocus sealed tube (Incoatec ImS)'
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_refine_diff_density_rms         0.085
_refine_ls_extinction_method     none
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_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0519P)^2^+2.2891P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_Friedel_coverage         0.000
_reflns_number_gt                5564
_reflns_number_total             7943
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            4a.cif
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_cod_original_sg_symbol_H-M      'P 21/n'
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_shelx_estimated_absorpt_t_min   0.933
_shelx_estimated_absorpt_t_max   0.943
_shelx_res_checksum              61910
_shelx_hkl_checksum              96305