Information card for entry 7005675

Structure parameters

• Formula: C53 H48 Br N3 P4 W
• Calculated formula: C53 H48 Br N3 P4 W
• SMILES: [W]12(Br)([P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([P](CC[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)N=NC#N
• Title of publication: Extended-chain, multinuclear transition metal complexes bridged by cyanodiazenido(1-), [N=N-C[triple bond, length as m-dash]N]-, ligands.
• Authors of publication: Chan, Yun Fu; Chippindale, Ann M.; Colquhoun, Howard M.; Drew, Michael G. B.; Williams, David J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 32
• Pages of publication: 3538 - 3545
• a: 13.283 ± 0.014 Å
• b: 12.077 ± 0.014 Å
• c: 29.76 ± 0.03 Å
• α: 90°
• β: 96.159 ± 0.01°
• γ: 90°
• Cell volume: 4747 ± 9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1329
• Residual factor for significantly intense reflections: 0.0821
• Weighted residual factors for significantly intense reflections: 0.1966
• Weighted residual factors for all reflections included in the refinement: 0.2193
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No