Information card for entry 7015544

Structure parameters

• Formula: C192 H142 Mo2 N8 O50 S W12
• Calculated formula: C192 H136 Mo2 N8 O50 S W12
• Title of publication: Enclosure of a Keggin-type heteropolyoxometalate into a tubular π-space via hydrogen bonds with a nonplanar Mo(v)-porphyrin complex forming a supramolecular assembly.
• Authors of publication: Yokoyama, Atsutoshi; Kojima, Takahiko; Fukuzumi, Shunichi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 24
• Pages of publication: 6445 - 6450
• a: 16.185 ± 0.002 Å
• b: 17.072 ± 0.002 Å
• c: 20.604 ± 0.003 Å
• α: 91.431 ± 0.002°
• β: 111.262 ± 0.002°
• γ: 116.401 ± 0.002°
• Cell volume: 4632.5 ± 1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0587
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0915
• Weighted residual factors for all reflections included in the refinement: 0.1058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No