Information card for entry 4332804

Structure parameters

• Formula: C12 H38 N4 O20 Ta2
• Calculated formula: C12 H38 N4 O20 Ta2
• SMILES: C1(O[Ta]23(O[C@H]1C)(OC([C@H](C)O2)=O)(O[Ta]124(OC(=O)[C@H](C)O1)(OC(=O)[C@H](C)O2)OO4)OO3)=O.[NH4+].[NH4+].O.O.[NH4+].[NH4+].O
• Title of publication: Synthesis and Structure of New Water-Soluble and Stable Tantalum Compound: Ammonium Tetralactatodiperoxo-μ-oxo-ditantalate(V)
• Authors of publication: Petrykin, Valery; Kakihana, Masato; Yoshioka, Kohtaro; Sasaki, Satoshi; Ueda, Yoshihiro; Tomita, Koji; Nakamura, Yoshiyuki; Shiro, Motoo; Kudo, Akihiko
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 23
• Pages of publication: 9251 - 9256
• a: 13.85 ± 0.02 Å
• b: 9.06 ± 0.01 Å
• c: 12.32 ± 0.02 Å
• α: 90°
• β: 116.3 ± 0.05°
• γ: 90°
• Cell volume: 1386 ± 3 ų
• Cell temperature: 93.1 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for all reflections included in the refinement: 0.12
• Goodness-of-fit parameter for all reflections included in the refinement: 0.91
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No