Information card for entry 4123833

Structure parameters

• Formula: C14 H23 Au Cl N5 O3
• Calculated formula: C14 H23 Au Cl N5 O3
• SMILES: Cl[Au]=C1N(C(=CN1C)c1nnn(c1)CCOCCOCCOC)C
• Title of publication: PEGylated N-Heterocyclic Carbene Anchors Designed To Stabilize Gold Nanoparticles in Biologically Relevant Media.
• Authors of publication: MacLeod, Michelle J.; Johnson, Jeremiah A.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 25
• Pages of publication: 7974 - 7977
• a: 7.4262 ± 0.0005 Å
• b: 7.6495 ± 0.0005 Å
• c: 16.8263 ± 0.0011 Å
• α: 85.0988 ± 0.0018°
• β: 79.0498 ± 0.0018°
• γ: 68.9663 ± 0.0018°
• Cell volume: 875.76 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0254
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for significantly intense reflections: 0.0537
• Weighted residual factors for all reflections included in the refinement: 0.0551
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No