Information card for entry 2216252

Structure parameters

• Chemical name: Bis(ferrocene-1,1'-diacetyl-carbohydrazide) dihydrate
• Formula: C30 H36 Fe2 N8 O4
• Calculated formula: C30 H36 Fe2 N8 O4
• SMILES: [cH]12[cH]3[cH]4[Fe]56789%1013[cH]1[c]8([cH]7[cH]6[cH]51)C(=NNC(=O)NN=C([c]13[cH]5[cH]6[cH]7[cH]1[Fe]18%11%123567[cH]3[c]%12([cH]%11[cH]8[cH]13)C(=NNC(=O)NN=C([c]49[cH]2%10)C)C)C)C.O.O
• Title of publication: 1,5:1',5'-Bis[1,1'-(ferrocene-1,1'-diyl)diethylidyne]dicarbonohydrazide dihydrate
• Authors of publication: Zhou, Jing; Zhou, Hui; Chen, Chun-Ling; Li, Ming-Xue
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: m2961 - m2961
• a: 28.708 ± 0.004 Å
• b: 7.9756 ± 0.0011 Å
• c: 15.305 ± 0.002 Å
• α: 90°
• β: 121.576 ± 0.002°
• γ: 90°
• Cell volume: 2985.5 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0642
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0717
• Weighted residual factors for all reflections included in the refinement: 0.0759
• Goodness-of-fit parameter for all reflections included in the refinement: 0.807
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes