Information card for entry 7015509

Structure parameters

• Formula: C10 H13 Br2 In N4 Se
• Calculated formula: C10 H13 Br2 In N4 Se
• SMILES: [In]12([Se]C(=N[N]2=C(C)c2[n]1cccc2)N(C)C)(Br)Br
• 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: 8.8744 ± 0.0005 Å
• b: 9.0004 ± 0.0005 Å
• c: 10.5203 ± 0.0006 Å
• α: 67.763 ± 0.005°
• β: 84.663 ± 0.004°
• γ: 77.02 ± 0.005°
• Cell volume: 757.89 ± 0.08 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0646
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.1135
• Weighted residual factors for all reflections included in the refinement: 0.1483
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No