Information card for entry 7052007

Structure parameters

• Formula: C6 H24 Cl3 N6 Rh
• Calculated formula: C6 H24 Cl3 N6 Rh
• SMILES: C1C[NH2][Rh]23([NH2]1)([NH2]CC[NH2]2)[NH2]CC[NH2]3.[Cl-].[Cl-].[Cl-]
• Title of publication: Gas-adsorbing ability of tris-ethylenediamine metal complexes (M = Co(iii), Cr(iii), Rh(iii), Ir(iii)) as transformable ionic single crystal hosts
• Authors of publication: Takamizawa, Satoshi; Kohbara, Masa-aki; Akatsuka, Takamasa; Miyake, Ryosuke
• Journal of publication: New Journal of Chemistry
• Year of publication: 2008
• Journal volume: 32
• Journal issue: 10
• Pages of publication: 1782
• a: 10.9593 ± 0.0005 Å
• b: 10.9593 ± 0.0005 Å
• c: 15.3981 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1601.63 ± 0.18 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 5
• Space group number: 165
• Hermann-Mauguin space group symbol: P -3 c 1
• Hall space group symbol: -P 3 2"c
• Residual factor for all reflections: 0.088
• Residual factor for significantly intense reflections: 0.0823
• Weighted residual factors for significantly intense reflections: 0.1557
• Weighted residual factors for all reflections included in the refinement: 0.1582
• Goodness-of-fit parameter for all reflections included in the refinement: 1.379
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No