Information card for entry 4341588

Structure parameters

• Common name: Compound 3
• Formula: C204 H276 Cr4 N16 O16
• Calculated formula: C204 H276 Cr4 N16 O16
• Title of publication: From Chromium-Chromium Quintuple Bonds to Molecular Squares and Porous Coordination Polymers.
• Authors of publication: Noor, Awal; Tamne, Emmanuel Sobgwi; Oelkers, Benjamin; Bauer, Tobias; Demeshko, Serhiy; Meyer, Franc; Heinemann, Frank W.; Kempe, Rhett
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Pages of publication: 141110123258001
• a: 22.653 ± 0.0011 Å
• b: 46.285 ± 0.002 Å
• c: 18.5618 ± 0.0008 Å
• α: 90°
• β: 108.21 ± 0.002°
• γ: 90°
• Cell volume: 18487.2 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.1301
• Residual factor for significantly intense reflections: 0.0754
• Weighted residual factors for significantly intense reflections: 0.1884
• Weighted residual factors for all reflections included in the refinement: 0.244
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No