Information card for entry 7219175

Structure parameters

• Formula: C18 H114 Mo9 N50 O9 Re9 S24 Zn9
• Calculated formula: C18 H119.52 Mo9 N50 O9 Re9 S24 Zn9
• Title of publication: Novel ‘anti-Prussian blue’ structure based on Zn2+nodes and [Re3Mo3S8(CN)6]6−heterometallic cluster spacers and its rearrangement to Prussian blue
• Authors of publication: Virovets, Alexander V.; Gayfulin, Yakov M.; Peresypkina, Eugenia V.; Mironov, Yuri V.; Naumov, Nikolay G.
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 6
• Pages of publication: 1477
• a: 14.9831 ± 0.0003 Å
• b: 14.9831 ± 0.0003 Å
• c: 14.9831 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3363.61 ± 0.12 ų
• Cell temperature: 150 ± 0.2 K
• Ambient diffraction temperature: 150 ± 0.2 K
• Number of distinct elements: 8
• Space group number: 221
• Hermann-Mauguin space group symbol: P m -3 m
• Hall space group symbol: -P 4 2 3
• Residual factor for all reflections: 0.0534
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.1217
• Weighted residual factors for all reflections included in the refinement: 0.1327
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No