Multinuclear Magnesium Hydride Clusters: Selective Reduction and Catalytic Hydroboration of Pyridines
Intemann, Julia; Lutz, Martin; Harder, Sjoerd; Organometallics 33 (2014) 5722–; doi:10.1021/om500469h

data_4083622
_publ_section_title
;
 Multinuclear Magnesium Hydride Clusters: Selective Reduction and
 Catalytic Hydroboration of Pyridines
;
_journal_issue                   20
_journal_name_full               Organometallics
_journal_page_first              5722
_journal_paper_doi               10.1021/om500469h
_journal_volume                  33
_journal_year                    2014
_chemical_formula_moiety         'C60 H74 Mg2 N8'
_chemical_formula_sum            'C60 H74 Mg2 N8'
_chemical_formula_weight         955.89
_chemical_name_systematic
;
 ?
;
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_symmetry_space_group_name_H-M   'P -1'
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_atom_sites_solution_secondary   difmap
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_cell_measurement_theta_min      1.59
_cell_volume                     5648.9(3)
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_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      150(2)
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_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker Kappa ApexII'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_unetI/netI     0.0370
_diffrn_reflns_Laue_measured_fraction_full 1.000
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_diffrn_reflns_limit_h_max       22
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_diffrn_reflns_limit_l_min       -24
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_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.997
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_diffrn_reflns_theta_max         27.491
_diffrn_reflns_theta_min         1.619
_diffrn_source                   'sealed tube'
_exptl_absorpt_coefficient_mu    0.087
_exptl_absorpt_correction_T_max  0.7456
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS-2008/1
_exptl_crystal_colour            yellow
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_refine_ls_number_parameters     1285
_refine_ls_number_reflns         25855
_refine_ls_number_restraints     0
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_refine_ls_R_factor_all          0.0707
_refine_ls_R_factor_gt           0.0466
_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^)+(0.0487P)^2^+2.7980P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           l0327a
_cod_database_code               4083622
_shelxl_version_number           2014-3
_shelx_res_checksum              69083
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