Information card for entry 7220060

Structure parameters

• Formula: B10 D10 Na2
• Calculated formula: B10 D10 Na2
• SMILES: [B]1234([B]567([B]89%10([B]%1115([B]153([B]3%122([B]68([B]913([B]%10%115[2H])[2H])([B]47%12[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H].[Na+].[Na+]
• Title of publication: The structure of monoclinic Na2B10H10: a combined diffraction, spectroscopy, and theoretical approach
• Authors of publication: Wu, Hui; Tang, Wan Si; Zhou, Wei; Stavila, Vitalie; Rush, John J.; Udovic, Terrence J.
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 18
• Pages of publication: 3533
• a: 6.6535 ± 0.0005 Å
• b: 12.9636 ± 0.001 Å
• c: 11.851 ± 0.0009 Å
• α: 90°
• β: 120.203 ± 0.004°
• γ: 90°
• Cell volume: 883.42 ± 0.12 ų
• Cell temperature: 2.5 K
• Ambient diffraction temperature: 2.5 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• RFsqd: 0.03762
• Goodness-of-fit parameter for all reflections: 1.14
• Method of determination: powder diffraction
• Diffraction radiation probe: neutron
• Diffraction radiation wavelength: 1.5398 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No