Information card for entry 4327713

Structure parameters

• Formula: C36 H48 Mg2 N4 S4
• Calculated formula: C36 H48 Mg2 N4 S4
• SMILES: [S]12[Mg]3([S]c4c(cccc4)C[N]3(C)C)([N](Cc3c1cccc3)(C)C)[S]1[Mg]32([S]c2c(cccc2)C[N]3(C)C)[N](Cc2c1cccc2)(C)C
• Title of publication: Synthesis and Characterization of Bis(arenethiolato)magnesium Complexes with Intramolecular Coordination. X-ray Structure of [Mg{S(C6H4-2-CH2NMe2)}2]2
• Authors of publication: Maurits D. Janssen; Remco van der Rijst; Anthony L. Spek; David M. Grove; Gerard van Koten
• Journal of publication: Inorganic Chemistry
• Year of publication: 1996
• Journal volume: 35
• Pages of publication: 3436 - 3439
• a: 9.1464 ± 0.0014 Å
• b: 20.254 ± 0.005 Å
• c: 10.142 ± 0.0015 Å
• α: 90°
• β: 104.455 ± 0.012°
• γ: 90°
• Cell volume: 1819.3 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.14
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for all reflections: 0.1494
• Weighted residual factors for significantly intense reflections: 0.1264
• Goodness-of-fit parameter for all reflections: 0.946
• Goodness-of-fit parameter for significantly intense reflections: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No