Information card for entry 7002757

Structure parameters

• Formula: C38 H30 Cu Fe2 N4
• Calculated formula: C38 H30 Cu Fe2 N4
• SMILES: [Cu]12([n]3cccc3=C(c3n1ccc3)[c]13[cH]4[Fe]56789%101([cH]4[cH]5[cH]36)[cH]1[cH]%10[cH]9[cH]8[cH]71)[n]1cccc1=C(c1n2ccc1)[c]12[Fe]3456789([cH]1[cH]3[cH]4[cH]25)[cH]1[cH]6[cH]7[cH]8[cH]91
• 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: 31.485 ± 0.004 Å
• b: 8.1551 ± 0.001 Å
• c: 23.249 ± 0.004 Å
• α: 90°
• β: 106.384 ± 0.018°
• γ: 90°
• Cell volume: 5727.1 ± 1.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.12
• Residual factor for significantly intense reflections: 0.0886
• Weighted residual factors for significantly intense reflections: 0.2311
• Weighted residual factors for all reflections included in the refinement: 0.2988
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No