Information card for entry 4316317

Structure parameters

• Formula: C36 H30 Au Cl P2
• Calculated formula: C36 H30 Au Cl P2
• SMILES: [P]([Au](Cl)[P](c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Polymorphic Crystal Approach to Changing the Emission of [AuCl(PPh3)2], Analyzed by Direct Observation of the Photoexcited Structures by X-ray Photocrystallography
• Authors of publication: Manabu Hoshino; Hidehiro Uekusa; Satoshi Ishii; Takuhiro Otsuka; Youkoh Kaizu; Yoshiki, Ozawa; Koshiro Toriumi
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 7257 - 7265
• a: 24.637 ± 0.0002 Å
• b: 9.044 ± 0.0001 Å
• c: 14.905 ± 0.0002 Å
• α: 90°
• β: 117.061 ± 0.0005°
• γ: 90°
• Cell volume: 2957.5 ± 0.06 ų
• Cell temperature: 29 ± 2 K
• Ambient diffraction temperature: 29 ± 2 K
• Number of distinct elements: 5
• 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: 0.023
• Residual factor for significantly intense reflections: 0.02
• Weighted residual factors for significantly intense reflections: 0.0574
• Weighted residual factors for all reflections included in the refinement: 0.0834
• Goodness-of-fit parameter for all reflections included in the refinement: 1.235
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.55636 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No