Information card for entry 4080054

Structure parameters

• Formula: C29.5 H37 B Cl N8 O3 P W
• Calculated formula: C29.5 H37 B Cl N8 O3 P W
• Title of publication: Exploiting theo-Quinodimethane Nature of Naphthalene: Cycloaddition Reactions with η2-Coordinated Tungsten‒Naphthalene Complexes
• Authors of publication: Strausberg, Laura; Li, Mengxun; Harrison, Daniel P.; Myers, William H.; Sabat, Michal; Harman, W. Dean
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 3
• Pages of publication: 915
• a: 32.7214 ± 0.0005 Å
• b: 14.3863 ± 0.0002 Å
• c: 13.658 ± 0.0002 Å
• α: 90°
• β: 90.142 ± 0.001°
• γ: 90°
• Cell volume: 6429.35 ± 0.16 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 8
• 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: 0.0248
• Residual factor for significantly intense reflections: 0.0211
• Weighted residual factors for significantly intense reflections: 0.0826
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No