Information card for entry 7124612

Structure parameters

• Formula: C36 H44 Cl6 Cu N4 O4
• Calculated formula: C36 H44 Cl6 Cu N4 O4
• Title of publication: Propentdyopent: the scaffold of a heme metabolite as an electron reservoir in transition metal complexes.
• Authors of publication: Gautam, R.; Chang, T. M.; Astashkin, A. V.; Lincoln, K. M.; Tomat, E.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 39
• Pages of publication: 6585 - 6588
• a: 11.6428 ± 0.001 Å
• b: 13.6677 ± 0.0012 Å
• c: 14.1795 ± 0.0012 Å
• α: 84.481 ± 0.003°
• β: 68.11 ± 0.002°
• γ: 72.003 ± 0.003°
• Cell volume: 1990.8 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 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: 0.1004
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1305
• Weighted residual factors for all reflections included in the refinement: 0.1517
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No