Information card for entry 4101044

Structure parameters

• Common name: 1,1'-bis(1,5-dimethyl-6-oxoverdazyl)ferrocene
• Formula: C18 H20 Fe N8 O2
• Calculated formula: C18 H20 Fe N8 O2
• SMILES: [Fe]12345678([c]9([cH]1[cH]2[cH]3[cH]49)C1=NN(C(=O)[N+](=N1)C)C)[c]1([cH]5[cH]6[cH]7[cH]81)C1=NN(C(=O)[N+](=N1)C)C
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• a: 7.1485 ± 0.0005 Å
• b: 10.4318 ± 0.0007 Å
• c: 13.3666 ± 0.0009 Å
• α: 70.5166 ± 0.0012°
• β: 89.5578 ± 0.0012°
• γ: 72.002 ± 0.0012°
• Cell volume: 888.65 ± 0.1 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No