Information card for entry 1508922

Structure parameters

• Formula: C74 H72 Cl N O2 P4 W
• Calculated formula: C74 H72 Cl N O2 P4 W
• SMILES: C(c1ccc(cc1)C#Cc1ccncc1)#[W]12(Cl)([P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[P](CC[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.C1COCC1.C1CCOC1
• Title of publication: FRET Sensitization of Tungsten-Alkylidyne Complexes by Zinc Porphyrins in Self-Assembled Dyads.
• Authors of publication: Moravec, Davis B.; Hopkins, Michael D.
• Journal of publication: The journal of physical chemistry. A
• Year of publication: 2013
• Journal volume: 117
• Journal issue: 8
• Pages of publication: 1744 - 1755
• a: 9.887 ± 0.006 Å
• b: 12.071 ± 0.007 Å
• c: 26.395 ± 0.015 Å
• α: 90.302 ± 0.01°
• β: 92.637 ± 0.012°
• γ: 103.19 ± 0.01°
• Cell volume: 3063 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1055
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.0931
• Weighted residual factors for all reflections included in the refinement: 0.103
• Goodness-of-fit parameter for all reflections included in the refinement: 0.787
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No