Information card for entry 7244737

Structure parameters

• Chemical name: [(Di-tert-butylphosphanyl)ethylcyclopentadienyl-P] (hydrido)(diphenylsilyl)cobalt(III)
• Formula: C27 H38 Co P Si
• Calculated formula: C27 H38 Co P Si
• SMILES: [CoH]12345([P](CC[c]61[cH]2[cH]3[cH]4[cH]56)(C(C)(C)C)C(C)(C)C)[SiH](c1ccccc1)c1ccccc1
• Title of publication: Synthesis and crystal structure of a sulphur-bridged molecular hoop consisting of 5,7,12,14-tetrathiapentacene
• Authors of publication: Ueda, Masafumi; Mazaki, Yasuhiro
• Journal of publication: RSC Advances
• Year of publication: 2022
• Journal volume: 12
• Journal issue: 18
• Pages of publication: 10870 - 10874
• a: 9.996 ± 0.002 Å
• b: 14.546 ± 0.002 Å
• c: 17.271 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2511.2 ± 0.8 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0573
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for all reflections: 0.0586
• Weighted residual factors for all reflections included in the refinement: 0.0564
• Goodness-of-fit parameter for all reflections: 1.102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.295
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No