Information card for entry 1559544

Structure parameters

• Common name: mer-[Ir(en)(enH)Cl3]Cl.H2O
• Formula: C4 H19 Cl4 Ir N4 O
• Calculated formula: C4 Cl4 Ir N4 O
• SMILES: [Ir]1(Cl)(Cl)(Cl)([NH2]CC[NH2]1)[NH2]CCN.[Cl-].O
• Title of publication: The Crystal Structures of mer-Trichloro(1,2-ethanediamine)(2-aminoethylammonium)iridium(III) Chloride Hydrate, mer-[Ir(en)(enH)Cl3]Cl.H2O, and its Conjugate Base, mer-[Ir(en)(en*)Cl3]
• Authors of publication: Galsbol, F.; Glowiak, T.; Hammershoi, A.; Hammershoi (nee Rasmussen), B. S.; Larsen, S.; Wilgocki, M.
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1990
• Journal volume: 44
• Pages of publication: 31 - 35
• a: 11.536 ± 0.002 Å
• b: 11.253 ± 0.001 Å
• c: 10.2 ± 0.001 Å
• α: 90°
• β: 97.21 ± 0.02°
• γ: 90°
• Cell volume: 1313.6 ± 0.3 ų
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.02
• Weighted residual factors for significantly intense reflections: 0.022
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No