Information card for entry 7016843

Structure parameters

• Formula: C21 H15 Cl4 N3
• Calculated formula: C21 H15 Cl4 N3
• SMILES: Clc1c(c(Cl)ccc1)/N=C(\C)c1cccc(C(=N\c2c(Cl)cccc2Cl)\C)n1
• Title of publication: Synthesis of a chloro protected iridium nitrido complex.
• Authors of publication: Sieh, Daniel; Schöffel, Julia; Burger, Peter
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 37
• Pages of publication: 9512 - 9524
• a: 9.3466 ± 0.0005 Å
• b: 14.2468 ± 0.0007 Å
• c: 15.4849 ± 0.0008 Å
• α: 90°
• β: 99.456 ± 0.001°
• γ: 90°
• Cell volume: 2033.94 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.052
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0822
• Weighted residual factors for all reflections included in the refinement: 0.0873
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No