Information card for entry 2211599

Structure parameters

• Chemical name: Bis(ferrocenecarbaldehyde) (1,2-diphenylethane-1,2-diylidene)dihydrazone
• Formula: C36 H30 Fe2 N4
• Calculated formula: C36 H30 Fe2 N4
• SMILES: [Fe]12345678([c]9([cH]1[cH]2[cH]3[cH]49)C=NN=C(c1ccccc1)C(c1ccccc1)=NN=C[c]12[Fe]349%10%11%12%13([cH]1[cH]3[cH]4[cH]29)[cH]1[cH]%13[cH]%12[cH]%11[cH]%101)[cH]1[cH]8[cH]7[cH]6[cH]51
• Title of publication: Bis(ferrocenecarbaldehyde) (1,2-diphenylethane-1,2-diylidene)dihydrazone
• Authors of publication: Zhou, Jing; Yan, Lin; Bi, Dong-Qin; Li, Ming-Xue
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: m3275 - m3276
• a: 12.066 ± 0.003 Å
• b: 11.187 ± 0.003 Å
• c: 22.402 ± 0.006 Å
• α: 90°
• β: 96.284 ± 0.005°
• γ: 90°
• Cell volume: 3005.7 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0632
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1049
• Weighted residual factors for all reflections included in the refinement: 0.1095
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes