Information card for entry 7040905

Structure parameters

• Formula: C64 H64 Cl3 K3 Mo8 N16 O16.5 S16
• Calculated formula: C64 H64 Cl3 K3 Mo8 N16 O16.5 S16
• Title of publication: K3[Mo2(SNO5)4Cl]3[Mo2(SNO5)4]: the first example of a heterometallic extended metal atom node (HEMAN).
• Authors of publication: Dolinar, Brian S.; Kozimor, Stosh A.; Berry, John F.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 44
• Pages of publication: 17602 - 17605
• a: 16.397 ± 0.007 Å
• b: 17.295 ± 0.006 Å
• c: 24.416 ± 0.013 Å
• α: 88.31 ± 0.03°
• β: 79.279 ± 0.018°
• γ: 63.2 ± 0.02°
• Cell volume: 6061 ± 5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.128
• Residual factor for significantly intense reflections: 0.0675
• Weighted residual factors for significantly intense reflections: 0.161
• Weighted residual factors for all reflections included in the refinement: 0.177
• Goodness-of-fit parameter for all reflections included in the refinement: 0.931
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No