Information card for entry 7001359

Structure parameters

• Formula: C25 H28 Cl2 Fe N4 O3
• Calculated formula: C25 H28 Cl2 Fe N4 O3
• SMILES: [Fe]12345678([c]9([cH]1[cH]2[cH]3[cH]49)C(=O)N[C@@H](C)C(=O)N1[C@H](CCC1)C(=O)Nc1ccncc1)[cH]1[cH]5[cH]6[cH]7[cH]81.ClCCl
• Title of publication: β-Turn-structure-assembled palladium complexes by complexation-induced self-organization of ferrocene‒dipeptide conjugates
• Authors of publication: Moriuchi, Toshiyuki; Fujiwara, Takashi; Hirao, Toshikazu
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 22
• Pages of publication: 4286 - 4288
• a: 10.2028 ± 0.0004 Å
• b: 9.6738 ± 0.0004 Å
• c: 12.9507 ± 0.0008 Å
• α: 90°
• β: 93.389 ± 0.002°
• γ: 90°
• Cell volume: 1276 ± 0.11 ų
• Cell temperature: 277.2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for all reflections included in the refinement: 0.1252
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No