Information card for entry 4342252

Structure parameters

• Formula: C31 H28 Cu I N4 O Si
• Calculated formula: C31 H28 Cu I N4 O Si
• Title of publication: Thermochromic and Mechanochromic Luminescence Umpolung in Isostructural Metal-Organic Frameworks Based on Cu6I6 Clusters.
• Authors of publication: Deshmukh, Mahesh S.; Yadav, Ashok; Pant, Rakesh; Boomishankar, Ramamoorthy
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 4
• Pages of publication: 1337 - 1345
• a: 10.087 ± 0.004 Å
• b: 11.412 ± 0.004 Å
• c: 14.137 ± 0.006 Å
• α: 112.294 ± 0.01°
• β: 95.693 ± 0.009°
• γ: 99.292 ± 0.009°
• Cell volume: 1462.8 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1156
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1445
• Weighted residual factors for all reflections included in the refinement: 0.1802
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No