Information card for entry 7060458

Structure parameters

• Formula: C24 H24 N16 Ta2
• Calculated formula: C24 H24 N16 Ta2
• SMILES: [Ta]12345(n6[n]1ccc6)([n]1n2ccc1)[n]1n([Ta]26(n7[n]2ccc7)([n]2n6ccc2)([n]2n3ccc2)(n2[n]4ccc2)[n]2n5ccc2)ccc1
• Title of publication: Tantalum(iv) pyrazolate: new wine in the old wineskin
• Authors of publication: Petrov, Pavel A.; Laricheva, Yuliya A.; Sukhikh, Taisiya S.; Sokolov, Maxim N.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 16
• Pages of publication: 7047 - 7051
• a: 8.4335 ± 0.0017 Å
• b: 14.985 ± 0.003 Å
• c: 22.574 ± 0.005 Å
• α: 90°
• β: 96.76 ± 0.03°
• γ: 90°
• Cell volume: 2833 ± 1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• 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: 0.0276
• Residual factor for significantly intense reflections: 0.0232
• Weighted residual factors for significantly intense reflections: 0.0525
• Weighted residual factors for all reflections included in the refinement: 0.0542
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No