Information card for entry 7002759

Structure parameters

• Formula: C24 H22 Fe N2 Ni O2
• Calculated formula: C24 H22 Fe N2 Ni O2
• SMILES: [Fe]12345678([c]9(C%10=c%11[n]([Ni]%12(n%13c%10ccc%13)OC(=CC(=[O]%12)C)C)ccc%11)[cH]1[cH]2[cH]3[cH]49)[cH]1[cH]5[cH]6[cH]7[cH]81
• Title of publication: First examples of homo-/heteroleptic bi-/tri-nuclear complexes containing 5-ferrocenyldipyrromethene
• Authors of publication: Yadav, Mahendra; Kumar, Prashant; Singh, Ashish Kumar; Ribas, Joan; Pandey, Daya Shankar
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 44
• Pages of publication: 9929 - 9934
• a: 16.3441 ± 0.0009 Å
• b: 11.8082 ± 0.0008 Å
• c: 10.6964 ± 0.0007 Å
• α: 90°
• β: 101.557 ± 0.006°
• γ: 90°
• Cell volume: 2022.5 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0901
• Residual factor for significantly intense reflections: 0.0625
• Weighted residual factors for significantly intense reflections: 0.183
• Weighted residual factors for all reflections included in the refinement: 0.2507
• Goodness-of-fit parameter for all reflections included in the refinement: 1.149
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No