Information card for entry 4320811

Structure parameters

• Formula: C16 H32 Cl4 In2 N6 O4
• Calculated formula: C16 H32 Cl4 In2 N6 O4
• SMILES: C1CCC[O]1[In]1([N](=N#N)[In]([N]1=N#N)([O]1CCCC1)([O]1CCCC1)(Cl)Cl)(Cl)([O]1CCCC1)Cl
• Title of publication: Synthesis of Cl2InN3, Br2InN3, and Related Adducts
• Authors of publication: Cory Steffek; Jeff McMurran; Brett Pleune; J. Kouvetakis; Thomas E. Concolino; Arnold L. Rheingold
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 1615 - 1617
• a: 12.337 ± 0.002 Å
• b: 14.531 ± 0.005 Å
• c: 15.649 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2805.4 ± 1.1 ų
• Cell temperature: 254 ± 2 K
• Ambient diffraction temperature: 254 ± 2 K
• Number of distinct elements: 6
• Space group number: 64
• Hermann-Mauguin space group symbol: C m c a
• Hall space group symbol: -C 2ac 2
• Residual factor for all reflections: 0.0998
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1244
• Weighted residual factors for all reflections included in the refinement: 0.1515
• Goodness-of-fit parameter for all reflections included in the refinement: 0.844
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No