Information card for entry 2312481

Structure parameters

• Common name: nitro-pentaammine-Co(III)-bromide-nitrate
• Chemical name: nitro-pentaammine-Co(III)-bromide-nitrate
• Formula: Br Co H15 N7 O5
• Calculated formula: Br Co H15 N7 O5
• Title of publication: A comparison of the isostructural [Co(NH₃)₅NO₂]XNO₃ and [Co(NH₃)₅ONO]XNO₃, X = Cl^- or Br^- in relation to nitro-nitrito linkage isomerization and photomechanical effects.
• Authors of publication: Kalinina, Polina P.; Marchuk, Alexander S.; Sahoo, Subash; Zakharov, Boris A.; Boldyreva, Elena V.
• Journal of publication: Acta crystallographica Section B, Structural science, crystal engineering and materials
• Year of publication: 2024
• Journal volume: 80
• Journal issue: 3
• a: 15.0056 ± 0.0005 Å
• b: 7.4101 ± 0.0003 Å
• c: 9.6803 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1076.38 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0635
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.151
• Weighted residual factors for all reflections included in the refinement: 0.1576
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes