Information card for entry 7705404

Structure parameters

• Formula: C85 H116 Au3 N6 O P7
• Calculated formula: C85 H116 Au3 N6 O P7
• SMILES: [Au](P1P2P([Au]=C3N(c4c(C(C)C)cccc4C(C)C)C=CN3c3c(C(C)C)cccc3C(C)C)P3P(P2[Au]=C2N(C=CN2c2c(C(C)C)cccc2C(C)C)c2c(cccc2C(C)C)C(C)C)P13)=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C.O1CCCC1
• Title of publication: Incorporation of coinage metal-NHC complexes into heptaphosphide clusters.
• Authors of publication: Jo, Minyoung; Li, Jingbai; Dragulescu-Andrasi, Alina; Rogachev, Andrey Yu; Shatruk, Michael
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 37
• Pages of publication: 12955 - 12959
• a: 18.4686 ± 0.0002 Å
• b: 17.4445 ± 0.0001 Å
• c: 34.225 ± 0.0003 Å
• α: 90°
• β: 125.216 ± 0.001°
• γ: 90°
• Cell volume: 9008.44 ± 0.18 ų
• Cell temperature: 149.99 ± 0.1 K
• Ambient diffraction temperature: 149.99 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0382
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0974
• Weighted residual factors for all reflections included in the refinement: 0.0989
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No