Information card for entry 7018273

Structure parameters

• Formula: C15 H16 N5 O9 Rh
• Calculated formula: C15 H16 N5 O9 Rh
• SMILES: [Rh]12(O)([OH2])([OH2])[n]3ccccc3c3[n]1c(ccc3)c1[n]2cccc1.O=N(=O)[O-].O=N(=O)[O-]
• Title of publication: Establishing the mechanism of Rh-catalysed activation of O(2) by H(2).
• Authors of publication: Inoki, Daisuke; Matsumoto, Takahiro; Hayashi, Hideki; Takashita, Keisuke; Nakai, Hidetaka; Ogo, Seiji
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 15
• Pages of publication: 4328 - 4334
• a: 8.395 ± 0.003 Å
• b: 10.642 ± 0.003 Å
• c: 11.454 ± 0.003 Å
• α: 68.371 ± 0.007°
• β: 88.574 ± 0.007°
• γ: 87.024 ± 0.009°
• Cell volume: 949.9 ± 0.5 ų
• Cell temperature: 223.2 K
• Ambient diffraction temperature: 223.2 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 significantly intense reflections: 0.0222
• Weighted residual factors for all reflections included in the refinement: 0.0634
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No