Information card for entry 7242318

Structure parameters

• Formula: C10 H20 I4 N2
• Calculated formula: C10 H20 I4 N2
• Title of publication: Synthesis and supramolecular organization of the iodide and triiodides of a polycyclic adamantane-based diammonium cation: the effects of hydrogen bonds and weak I⋯I interactions
• Authors of publication: Mezentsev-Cherkes, Ivan A.; Shestimerova, Tatiana A.; Medved'ko, Aleksei V.; Kalinin, Mikhail A.; Kuznetsov, Alexey N.; Wei, Zheng; Dikarev, Evgeny V.; Vatsadze, Sergey Z.; Shevelkov, Andrei V.
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 12
• Pages of publication: 2384 - 2395
• a: 8.15439 ± 0.00012 Å
• b: 8.70472 ± 0.00013 Å
• c: 13.0978 ± 0.0002 Å
• α: 95.739 ± 0.001°
• β: 98.8219 ± 0.0009°
• γ: 96.07 ± 0.0009°
• Cell volume: 907.14 ± 0.02 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0259
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for all reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0342
• Goodness-of-fit parameter for all reflections: 1.32
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54059 Å
• Diffraction radiation type: CuKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No