Information card for entry 7004161

Structure parameters

• Formula: C12 H20 B22 Cl24 N2
• Calculated formula: C12 H20 B22 Cl24 N2
• SMILES: [CH]1234[B]567([B]891([B]1%102([B]2%113([B]345([B]456([B]678([B]791([B]1%102([B]%1134([B]5671Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl.[CH]1234[B]567([B]891([B]1%102([B]2%113([B]345([B]456([B]678([B]791([B]1%102([B]%1134([B]5671Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl.[NH+](C)(C)[NH+](C)C.c1(c(cccc1)Cl)Cl
• Title of publication: Can the hexamethylhydrazinium dication [Me3N‒NMe3]2+ be prepared?
• Authors of publication: Zhang, Yun; Reed, Christopher A.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 33
• Pages of publication: 4392 - 4394
• a: 9.0345 ± 0.0008 Å
• b: 15.8644 ± 0.0015 Å
• c: 17.1466 ± 0.0016 Å
• α: 86.776 ± 0.002°
• β: 76.961 ± 0.002°
• γ: 83.128 ± 0.002°
• Cell volume: 2375.9 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0717
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.0875
• Weighted residual factors for all reflections included in the refinement: 0.1003
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No