Information card for entry 4124583

Structure parameters

• Chemical name: [Ca{CpRu(CO)2}(OH)]4
• Formula: C44 H56 Ca4 O16 Ru4
• Calculated formula: C44 H56 Ca4 O16 Ru4
• Title of publication: Probing the Limits of Alkaline Earth-Transition Metal Bonding: An Experimental and Computational Study.
• Authors of publication: Blake, Matthew P.; Kaltsoyannis, Nikolas; Mountford, Philip
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 38
• Pages of publication: 12352 - 12368
• a: 12.2485 ± 0.0003 Å
• b: 12.8238 ± 0.0003 Å
• c: 18.0967 ± 0.0006 Å
• α: 85.0129 ± 0.0011°
• β: 82.8752 ± 0.0013°
• γ: 71.251 ± 0.0013°
• Cell volume: 2667.52 ± 0.13 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0847
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for all reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0224
• Weighted residual factors for all reflections included in the refinement: 0.0207
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No