Information card for entry 2239723

Structure parameters

• Chemical name: 1,1-Diacetylferrocene dihydrazone
• Formula: C14 H18 Fe N4
• Calculated formula: C14 H18 Fe N4
• SMILES: [Fe]12345678([c]9([cH]1[cH]2[cH]3[cH]49)C(=N\N)\C)[c]1([cH]5[cH]6[cH]7[cH]81)/C(=N/N)C
• Title of publication: 1,1-Diacetylferrocene dihydrazone
• Authors of publication: Shikhaliyev, Namig G.; Gurbanov, Atash V.; Muzalevsky, Vasily M.; Nenajdenko, Valentine G.; Khrustalev, Victor N.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 8
• Pages of publication: m286 - m287
• a: 9.2647 ± 0.0003 Å
• b: 12.926 ± 0.0004 Å
• c: 22.0729 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2643.35 ± 0.15 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0346
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0773
• Weighted residual factors for all reflections included in the refinement: 0.0801
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes