Information card for entry 4075347

Structure parameters

• Formula: C22 H16 Fe N2
• Calculated formula: C22 H16 Fe N2
• SMILES: [Fe]12345678([cH]9[cH]1[cH]2[cH]3[cH]49)[cH]1[c]8([cH]7[cH]6[cH]51)C#Cc1cnc(cc1)c1ccccn1
• Title of publication: Heterobi- and Heterotrimetallic Transition Metal Complexes with Carbon-Rich Bridging Units
• Authors of publication: Packheiser, Rico; Walfort, Bernhard; Lang, Heinrich
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 19
• Pages of publication: 4579
• a: 23.915 ± 0.002 Å
• b: 6.8674 ± 0.0006 Å
• c: 10.0743 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1654.5 ± 0.2 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0677
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.082
• Weighted residual factors for all reflections included in the refinement: 0.0918
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No