Information card for entry 7208171

Structure parameters

• Formula: C60 H42 Co2 N6 O8
• Calculated formula: C60 H42 Co2 N6 O8
• Title of publication: {[Co2(ndc)2(bpee)2](bpee)}: a 3D multifunctional MOF
• Authors of publication: Saha, Rajat; Kumar, Sanjay
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 15
• Pages of publication: 4980
• a: 12.228 ± 0.002 Å
• b: 13.654 ± 0.003 Å
• c: 16.958 ± 0.003 Å
• α: 77.04 ± 0.01°
• β: 71.34 ± 0.01°
• γ: 87.9 ± 0.01°
• Cell volume: 2612.3 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1045
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1171
• Weighted residual factors for all reflections included in the refinement: 0.1348
• Goodness-of-fit parameter for all reflections included in the refinement: 0.811
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No