Information card for entry 2022536

Structure parameters

• Common name: ([2.2.2]Cryptand)potassium [1,2-bis(dimethylphosphanyl)ethane]bis(η^4^-naphthalene)vanadium tetrahydrofuran
• Chemical name: (4,7,13,16,21,24-Hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane)potassium [1,2-bis(dimethylphosphanyl)ethane]bis(naphthalene)vanadium tetrahydrofuran
• Formula: C48 H76 K N2 O7 P2 V
• Calculated formula: C48 H76 K N2 O7 P2 V
• SMILES: [CH]12[V]345678([P](C)(C)CC[P]8(C)C)([CH](=[CH]3[CH]=25)c2c1cccc2)[CH]1=[CH]4[CH]6=[CH]7c2ccccc12.[K]1234567[N]89CC[O]1CC[O]2CC[N]3(CC[O]4CC[O]5CC8)CC[O]6CC[O]7CC9.O1CCCC1
• Title of publication: Syntheses and crystal structures of new naphthalene– and anthracene–vanadate salts and an unprecedented dimetallabis(anthracene) sandwich complex: [Na(tetrahydrofuran)~3~][V~2~(anthracene)~2~]
• Authors of publication: Kucera, Benjamin E.; Young, Jr, Victor G.; Brennessel, William W.; Ellis, John E.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2022
• Journal volume: 78
• Journal issue: 3
• a: 10.3028 ± 0.0011 Å
• b: 8.6409 ± 0.0009 Å
• c: 14.5778 ± 0.0015 Å
• α: 90°
• β: 108.835 ± 0.002°
• γ: 90°
• Cell volume: 1228.3 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 3
• Hermann-Mauguin space group symbol: P 1 2 1
• Hall space group symbol: P 2y
• Residual factor for all reflections: 0.0637
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0796
• Weighted residual factors for all reflections included in the refinement: 0.0888
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes