Information card for entry 7124810

Structure parameters

• Formula: C16 H34 Mg N2 O2 P2 S2
• Calculated formula: C16 H34 Mg N2 O2 P2 S2
• Title of publication: A versatile hard-soft N/S-ligand for metal coordination and cluster formation.
• Authors of publication: Benson, Callum G. M.; Plajer, Alex J.; García-Rodríguez, Raúl; Bond, Andrew D.; Singh, Sanjay; Gade, Lutz H.; Wright, Dominic S.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 62
• Pages of publication: 9683 - 9686
• a: 13.2446 ± 0.0002 Å
• b: 10.2823 ± 0.0002 Å
• c: 17.0713 ± 0.0003 Å
• α: 90°
• β: 97.7952 ± 0.0007°
• γ: 90°
• Cell volume: 2303.37 ± 0.07 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0436
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0733
• Weighted residual factors for all reflections included in the refinement: 0.0786
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No