Information card for entry 7006471

Structure parameters

• Formula: C18 H14 Fe N4
• Calculated formula: C18 H14 Fe N4
• SMILES: [Fe]12345678([c]9(c%10nccnc%10)[cH]1[cH]2[cH]3[cH]49)[c]1([cH]8[cH]7[cH]6[cH]51)c1nccnc1
• Title of publication: Metal complexes from 1,1'-di(pyrazinyl)ferrocene: coordination polymers and bridged diferrocenes.
• Authors of publication: Mochida, Tomoyuki; Okazawa, Kazuya; Horikoshi, Ryo
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 5
• Pages of publication: 693 - 704
• a: 9.384 ± 0.003 Å
• b: 11.056 ± 0.004 Å
• c: 27.821 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2886.4 ± 1.7 ų
• Cell temperature: 296 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No