Information card for entry 7004494

Structure parameters

• Formula: C188 H418 N8 O98 V30
• Calculated formula: C188 H418 N8 O98 V30
• SMILES: [V]1234(=O)O[V]5678O[V]9%10%11(=O)O[V]%12%13%14(=O)O[V]%15%16%17%18O[V]%19%20(=O)(O1)O[V]1%21(=O)(O2)[O]5[V](=O)(O9)(O%12)([O]%151)[O]8%11%14%18[V]1(=O)([OH]6[V](=O)([OH]3)([O]%161)(O%19)[O]47%17%20%21)([OH]%10)O%13.[V]1234(=O)O[V]5678O[V]9%10%11(=O)O[V]%12%13%14(=O)O[V]%15%16%17%18O[V]%19%20(=O)(O1)O[V]1%21(=O)(O2)[O]5[V](=O)(O9)(O%12)([O]%151)[O]8%11%14%18[V]1(=O)([OH]6[V](=O)([OH]3)([O]%161)(O%19)[O]47%17%20%21)([OH]%10)O%13.[V]1234(=O)O[V]5678O[V]9%10%11(=O)O[V]%12%13%14(=O)O[V]%15%16%17%18O[V]%19%20(=O)(O1)O[V]1%21(=O)(O2)[O]5[V](=O)(O9)([OH]%12)([OH]%151)[O]8%11%14%18[V]1(=O)([OH]6[V](=O)([OH]3)([O]%161)(O%19)[O]47%17%20%21)(O%10)O%13.[N+](CCCCC)(CCCCC)(CCCCC)CCCCC.[N+](CCCCC)(CCCCC)(CCCCC)CCCCC.[N+](CCCCC)(CCCCC)(CCCCC)CCCCC.[N+](CCCCC)(CCCCC)(CCCCC)CCCCC.[N+](CCCCC)(CCCCC)(CCCCC)CCCCC.[N+](CCCCC)(CCCCC)(CCCCC)CCCCC.[N+](CCCCC)(CCCCC)(CCCCC)CCCCC.[N+](CCCCC)(CCCCC)(CCCCC)CCCCC.O1CCOCC1.O1CCOCC1.O1CCOCC1.O1CCOCC1.O1CCOCC1.O1CCOCC1.O1CCOCC1
• Title of publication: Guest driven rearrangements of protonation and hydrogen bonding in decavanadate anions as their tetraalkylammonium salts
• Authors of publication: Nakamura, Setsuko; Ozeki, Tomoji
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 44
• Pages of publication: 6135 - 6140
• a: 15.8999 ± 0.0001 Å
• b: 17.3149 ± 0.0002 Å
• c: 26.1575 ± 0.0004 Å
• α: 85.521 ± 0.001°
• β: 80.974 ± 0.001°
• γ: 66.321 ± 0.001°
• Cell volume: 6512.45 ± 0.14 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 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: 0.1223
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.122
• Weighted residual factors for all reflections included in the refinement: 0.1537
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No