Information card for entry 7049453

Structure parameters

• Formula: C25.5 H25 Au Cl N2
• Calculated formula: C25.5 H26 Au Cl N2
• Title of publication: Luminescent mechanochromism of gold N-heterocyclic carbene complexes with hypso- and bathochromic spectral shifts.
• Authors of publication: Seki, Tomohiro; Kashiyama, Kentaro; Ito, Hajime
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 21
• Pages of publication: 7105 - 7109
• a: 20.537 ± 0.002 Å
• b: 10.2462 ± 0.0006 Å
• c: 11.5862 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2438 ± 0.3 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.104
• Residual factor for significantly intense reflections: 0.0848
• Weighted residual factors for significantly intense reflections: 0.2233
• Weighted residual factors for all reflections included in the refinement: 0.2402
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No