Information card for entry 7007870

Structure parameters

• Common name: H2mpeptea
• Formula: C27 H25 N9
• Calculated formula: C27 H25 N9
• SMILES: n1ccccc1Nc1nc(N(C)c2nc(N(C)c3nc(Nc4ncccc4)ccc3)ccc2)ccc1
• Title of publication: A trimetal chain cocooned by two heptadentate polypyridylamide ligands.
• Authors of publication: Cotton, F. Albert; Chao, Hui; Murillo, Carlos A.; Wang, Qingsheng
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 45
• Pages of publication: 5416 - 5422
• a: 17.578 ± 0.003 Å
• b: 25.708 ± 0.005 Å
• c: 10.673 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4823.1 ± 1.5 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 3
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0529
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1097
• Weighted residual factors for all reflections included in the refinement: 0.1168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No