Information card for entry 7012310

Structure parameters

• Common name: [Fe(Tm)2]. 4.5H2O
• Formula: C24 H41 B2 Fe N12 O4.5 S6
• Calculated formula: C24 H32 B2 Fe N12 O4.5 S6
• Title of publication: Structural and spectroscopic characterisation of bis-ligand complexes of iron(ii), nickel(ii) and nickel(iii) with the hydrotris(methimazolyl)borate anion: soft S6 donor sets generating a weak ligand field
• Authors of publication: Garner, Mark; Lewinski, Krzysztof; Pattek-Janczyk, Agnieszka; Reglinski, John; Sieklucka, Barbara; Spicer, Mark D.; Szaleniec, Maciej
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 6
• Pages of publication: 1181
• a: 14.889 ± 0.0006 Å
• b: 14.889 ± 0.0006 Å
• c: 15.5697 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2989.1 ± 0.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0655
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1696
• Weighted residual factors for all reflections included in the refinement: 0.177
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No