Information card for entry 1516468

Structure parameters

• Formula: C36 H44 K N4 O11.5
• Calculated formula: C36 H35 K N4 O11.5
• Title of publication: Blue transition metal complexes of a natural bilin-type chlorophyll catabolite
• Authors of publication: Li, Chengjie; Ulrich, Markus; Liu, Xiujun; Wurst, Klaus; Müller, Thomas; Kräutler, Bernhard
• Journal of publication: Chemical Science
• Year of publication: 2014
• Journal volume: 5
• Journal issue: 9
• Pages of publication: 3388
• a: 11.7592 ± 0.0008 Å
• b: 12.747 ± 0.0009 Å
• c: 13.3933 ± 0.0009 Å
• α: 98.948 ± 0.004°
• β: 100.21 ± 0.004°
• γ: 97.418 ± 0.003°
• Cell volume: 1926.2 ± 0.2 ų
• Cell temperature: 233 ± 2 K
• Ambient diffraction temperature: 233 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1111
• Residual factor for significantly intense reflections: 0.0769
• Weighted residual factors for significantly intense reflections: 0.1824
• Weighted residual factors for all reflections included in the refinement: 0.1968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No