Information card for entry 4003046

Structure parameters

• Formula: C8 H16 Ni O12
• Calculated formula: C8 H16 Ni O12
• Title of publication: Rational Synthesis of Mixed-Metal Microporous Metal‒Organic Frameworks with Controlled Composition Using Mechanochemistry
• Authors of publication: Ayoub, Ghada; Karadeniz, Bahar; Howarth, Ashlee J.; Farha, Omar K.; Đilović, Ivica; Germann, Luzia S.; Dinnebier, Robert E.; Užarević, Krunoslav; Friščić, Tomislav
• Journal of publication: Chemistry of Materials
• Year of publication: 2019
• Journal volume: 31
• Journal issue: 15
• Pages of publication: 5494
• a: 6.9497 ± 0.0005 Å
• b: 8.6455 ± 0.0005 Å
• c: 12.4065 ± 0.0009 Å
• α: 89.144 ± 0.005°
• β: 87.701 ± 0.006°
• γ: 67.707 ± 0.006°
• Cell volume: 689.16 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0548
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1289
• Weighted residual factors for all reflections included in the refinement: 0.1355
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No