Information card for entry 7040906

Structure parameters

• Formula: C28.5 H29.5 Cl Mo2 N6.5 O4 S4
• Calculated formula: C28.5 H29.5 Cl Mo2 N6.5 O4 S4
• 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: 8.762 ± 0.003 Å
• b: 14.296 ± 0.005 Å
• c: 26.63 ± 0.008 Å
• α: 90°
• β: 92.425 ± 0.016°
• γ: 90°
• Cell volume: 3332.7 ± 1.9 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0569
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.0995
• Weighted residual factors for all reflections included in the refinement: 0.1057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No