Information card for entry 7002758

Structure parameters

• Formula: C24 H22 Cu Fe N2 O2
• Calculated formula: C24 H22 Cu Fe N2 O2
• SMILES: c1ccc2n1[Cu]1(OC(=CC(=[O]1)C)C)[n]1c(=C2[c]23[cH]4[cH]5[cH]6[cH]2[Fe]27893456[cH]3[cH]7[cH]2[cH]9[cH]83)ccc1
• 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: 22.903 ± 0.005 Å
• b: 15.047 ± 0.005 Å
• c: 13.607 ± 0.005 Å
• α: 90 ± 0.005°
• β: 123.984 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 3888 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0597
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1142
• Weighted residual factors for all reflections included in the refinement: 0.1177
• Goodness-of-fit parameter for all reflections included in the refinement: 0.926
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No