A key concept of utilization of both non-Grignard magnesium chloride and imide salts for rechargeable Mg battery electrolytes
Mandai, Toshihiko; Akita, Yasuhiro; Yagi, Shunsuke; Egashira, Minato; Munakata, Hirokazu; Kanamura, Kiyoshi; Journal of Materials Chemistry A 5 (2017) 3152–; doi:10.1039/C6TA10194A

data_7236395
_publ_section_title
;
 A key concept of utilization of both non-Grignard magnesium chloride and
 imide salts for rechargeable Mg battery electrolytes
;
_journal_issue                   7
_journal_name_full               'Journal of Materials Chemistry A'
_journal_page_first              3152
_journal_paper_doi               10.1039/C6TA10194A
_journal_volume                  5
_journal_year                    2017
_chemical_formula_moiety         'C34 H66 Cl3 F6 Mg3 N O13 S2'
_chemical_formula_sum            'C34 H66 Cl3 F6 Mg3 N O13 S2'
_chemical_formula_weight         1054.28
_chemical_properties_physical    ', Moisture-sensitive,Hygroscopic'
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_update_record
;
2016-10-20 deposited with the CCDC.
2017-01-03 downloaded from the CCDC.
;
_cell_angle_alpha                90.0000
_cell_angle_beta                 103.381(2)
_cell_angle_gamma                90.0000
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_cell_measurement_temperature    173
_cell_measurement_theta_max      27.50
_cell_measurement_theta_min      3.00
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'CrystalClear-SM Expert 2.1 b45 (Rigaku, 2015)'
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_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Rigaku XtaLAB P200'
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_diffrn_reflns_limit_l_min       -18
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_diffrn_reflns_theta_min         3.013
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_exptl_absorpt_coefficient_mu    0.378
_exptl_absorpt_correction_T_max  0.956
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_exptl_crystal_colour            colorless
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_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             4432.00
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: tetrahydrofuran'
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_refine_ls_number_restraints     0
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_refine_ls_shift/su_max          0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.1872P)^2^+7.3364P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2550
_refine_ls_wR_factor_ref         0.2786
_reflns_Friedel_coverage         0.000
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_reflns_threshold_expression     F^2^>2.0\s(F^2^)
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