Information card for entry 7015510

Structure parameters

• Formula: C11 H17 Br2 In N4 O S
• Calculated formula: C11 H17 Br2 In N4 O S
• SMILES: [In]12([N](N=C(S1)N(C)C)=C(c1[n]2cccc1)C)(Br)(Br)[OH]C
• Title of publication: Indium(III), antimony(III) and bismuth(III) dihalide complexes with tridentate, anionic thio- and selenosemicarbazonato ligands.
• Authors of publication: Molter, Anja; Mohr, Fabian
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 14
• Pages of publication: 3754 - 3758
• a: 7.184 ± 0.0004 Å
• b: 10.0281 ± 0.0006 Å
• c: 12.6768 ± 0.0007 Å
• α: 81.442 ± 0.005°
• β: 74.886 ± 0.005°
• γ: 71.157 ± 0.005°
• Cell volume: 832.33 ± 0.09 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0602
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.0901
• Weighted residual factors for all reflections included in the refinement: 0.0987
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No