Information card for entry 7223040

Structure parameters

• Common name: nitro-pentaammine-Co(III)-dibromide
• Chemical name: nitro-pentaammine-Co(III)-dibromide
• Formula: Br2 Co H15 N6 O2
• Calculated formula: Br2 Co H15 N6 O2
• Title of publication: A single-crystal to single-crystal phase transition in [Co(NH3)5NO2]Br2at high pressure: a step towards understanding linkage photo-isomerisation
• Authors of publication: Zakharov, B. A.; Marchuk, A. S.; Boldyreva, E. V.
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 46
• Pages of publication: 8812
• a: 10.6243 ± 0.0005 Å
• b: 8.403 ± 0.0008 Å
• c: 10.9113 ± 0.0005 Å
• α: 90°
• β: 94.483 ± 0.004°
• γ: 90°
• Cell volume: 971.14 ± 0.11 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Ambient diffracton pressure: 970000 kPa
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0273
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for significantly intense reflections: 0.0531
• Weighted residual factors for all reflections included in the refinement: 0.0559
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No