Information card for entry 1559067

Structure parameters

• Common name: Tri-mu-hydroxobis{[N,N',N''-trimethyl-1,1,1- tris(aminomethyl)ethane]chromium(III)} Chloride Tetrahydrate
• Formula: C16 H53 Cl3 Cr2 N6 O7
• Calculated formula: C16 Cl3 Cr2 N6 O7
• SMILES: [Cr]12345([Cr]67([OH]1)([OH]2)([OH]3)[NH](C)CC(C[NH]6C)(C[NH]7C)C)[NH](C)CC(C[NH]4C)(C[NH]5C)C.[Cl-].[Cl-].[Cl-].O.O.O.O
• Title of publication: Magnetism, Spectroscopy and Structure of Tri-mu-hydroxobis{[N,N',N''- trimethyl-1,1,1-tris(aminomethyl)ethane]chromium(III)} Chloride Tetrahydrate
• Authors of publication: Glerup, Jorgen; Larsen, Sine; Weihe, Hogni
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1993
• Journal volume: 47
• Pages of publication: 1154 - 1161
• a: 9.674 ± 0.003 Å
• b: 13.775 ± 0.003 Å
• c: 22.947 ± 0.004 Å
• α: 90°
• β: 102.5 ± 0.02°
• γ: 90°
• Cell volume: 2985.4 ± 1.3 ų
• Ambient diffraction temperature: 110 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: 0.034
• Weighted residual factors for significantly intense reflections: 0.047
• Goodness-of-fit parameter for all reflections included in the refinement: 1.33
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No