Information card for entry 7045247

Structure parameters

• Formula: C21 H25 N6 Nb O15
• Calculated formula: C21 H25 N6 Nb O15
• SMILES: C1(=O)C(=O)O[Nb]23(=O)(O1)(OC(=O)C(=O)O2)OC(=O)C(=O)O3.c1cc(cc[nH+]1)N.c1cc(cc[nH+]1)N.c1cc(cc[nH+]1)N.O.O
• Title of publication: Photochromism in oxalatoniobates.
• Authors of publication: Shmakova, Alexandra A.; Glebov, Eugeniy M.; Korolev, Valeri V.; Stass, Dmitri V.; Benassi, Enrico; Abramov, Pavel A.; Sokolov, Maxim N.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 7
• Pages of publication: 2247 - 2255
• a: 8.8603 ± 0.0005 Å
• b: 9.5609 ± 0.0004 Å
• c: 17.5015 ± 0.0008 Å
• α: 78.475 ± 0.004°
• β: 81.023 ± 0.004°
• γ: 71.048 ± 0.004°
• Cell volume: 1367.29 ± 0.12 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 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: 0.0445
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.08
• Weighted residual factors for all reflections included in the refinement: 0.0835
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No