Information card for entry 7012309

Structure parameters

• Common name: [Ni(Tm)2]Br.4(CH2Cl2)
• Formula: C28 H40 B2 Br Cl8 N12 Ni S6
• Calculated formula: C27.99 H38 B2 Br Cl7.99 N12 Ni 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: 16.8111 ± 0.0004 Å
• b: 16.8111 ± 0.0004 Å
• c: 16.8111 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4751 ± 0.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 8
• Space group number: 198
• Hermann-Mauguin space group symbol: P 21 3
• Hall space group symbol: P 2ac 2ab 3
• Residual factor for all reflections: 0.0709
• Residual factor for significantly intense reflections: 0.0668
• Weighted residual factors for significantly intense reflections: 0.1588
• Weighted residual factors for all reflections included in the refinement: 0.1608
• Goodness-of-fit parameter for all reflections included in the refinement: 1.185
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No