Information card for entry 7231964

Structure parameters

• Formula: C30 H45 Mo8 N6 Na O32
• Calculated formula: C30 H45 Mo8 N6 Na O32
• SMILES: C(COC(=O)C(=C)C)n1c[n+](cc1)C.O=C(OCCn1c[n+](cc1)C)C(=C)C.O1[Mo]234([O]5[Mo]67([O]8[Mo]95([O]5%104[Mo]1(=O)(=O)(O9)O[Mo]15([O]4[Mo]5([O]21)([O]136[Mo](=O)(=O)(O[Mo]8%1041=O)(O5)O7)(=O)=O)(=O)=O)(=O)=O)(=O)=O)=O.O=C(OCC[n+]1cn(cc1)C)C(=C)C.[Na+]
• Title of publication: Controlled introduction of metal cations into polymerizable ionic liquid-polyoxomolybdate hybrid crystals
• Authors of publication: Kobayashi, Jun; Misawa, Toshiyuki; Umeda, Chihiro; Isono, Toru; Ono, Seiji; Naruke, Haruo; Okamura, Yosuke; Koguchi, Shinichi; Higuchi, Masashi; Nagase, Yu; Ito, Takeru
• Journal of publication: CrystEngComm
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 4
• Pages of publication: 629
• a: 12.4487 ± 0.0007 Å
• b: 14.0216 ± 0.0008 Å
• c: 17.0849 ± 0.0009 Å
• α: 112.276 ± 0.0014°
• β: 93.2135 ± 0.0015°
• γ: 105.097 ± 0.0015°
• Cell volume: 2624.1 ± 0.3 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0998
• Residual factor for significantly intense reflections: 0.0768
• Weighted residual factors for significantly intense reflections: 0.1602
• Weighted residual factors for all reflections included in the refinement: 0.1742
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No