Information card for entry 4309791

Structure parameters

• Formula: C25 H35 B Cl4 N7 Nb S3
• Calculated formula: C25 H35 B Cl4 N7 Nb S3
• SMILES: [Nb]12(Cl)(Cl)(=Nc3c(cccc3C(C)C)C(C)C)[S]=c3n([BH](n4c(=[S]1)n(cc4)C)n1c(=[S]2)n(cc1)C)ccn3C.C(Cl)Cl
• Title of publication: Niobium and Tantalum Tris(methimazolyl)borate Complexes [M(NC6H3iPr2-2,6)Cl2{HB(mt)3}] (M = Nb, Ta; mt = Methimazolyl)
• Authors of publication: Anthony F. Hill; A. David Rae; Matthew K. Smith
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 7316 - 7318
• a: 9.697 ± 0.0019 Å
• b: 13.235 ± 0.003 Å
• c: 14.971 ± 0.003 Å
• α: 93.74 ± 0.03°
• β: 96.9 ± 0.03°
• γ: 107.5 ± 0.03°
• Cell volume: 1808.7 ± 0.7 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0726
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.0904
• Weighted residual factors for all reflections included in the refinement: 0.1018
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No