Information card for entry 4132033

Structure parameters

• Formula: C90.67 H44 B12 Ni0.67 O32.67 Zr6
• Calculated formula: C90.6672 H44 B12.0021 Ni0.666667 O32.6667 Zr6
• Title of publication: Increased Electrical Conductivity in a Mesoporous Metal-Organic Framework Featuring Metallacarboranes Guests.
• Authors of publication: Kung, Chung-Wei; Otake, Kenichi; Buru, Cassandra T.; Goswami, Subhadip; Cui, Yuexing; Hupp, Joseph T.; Spokoyny, Alexander M.; Farha, Omar K.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 11
• Pages of publication: 3871 - 3875
• a: 38.555 ± 0.004 Å
• b: 38.555 ± 0.004 Å
• c: 17.0605 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 21963 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 191
• Hermann-Mauguin space group symbol: P 6/m m m
• Hall space group symbol: -P 6 2
• Residual factor for all reflections: 0.1423
• Residual factor for significantly intense reflections: 0.1167
• Weighted residual factors for significantly intense reflections: 0.3224
• Weighted residual factors for all reflections included in the refinement: 0.3438
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No