Information card for entry 7114475

Structure parameters

• Formula: C47 H41 Co O3 P2
• Calculated formula: C47 H41 Co O3 P2
• SMILES: [Co]1234567([cH]8[cH]1[cH]2[cH]3[cH]48)[C]1(P(=O)(c2ccccc2)c2ccccc2)=[C]5([C]6(P(=O)(c2ccccc2)c2ccccc2)=[C]71c1ccccc1)c1ccccc1.OCC
• Title of publication: (??5-Cyclopentadienyl)(??4-di- and tetra-phosphorylcyclobutadiene)cobalt(i): Synthesis, structure, and formation of 1-D coordination polymerElectronic supplementary information available: Synthetic procedure, physical data, and crystallographic data. See http://www.rsc.org/suppdata/cc/b2/b204779a/
• Authors of publication: Sasaki, Shigeru; Tanabe, Yoshihiro; Yoshifuji, Masaaki
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 17
• Pages of publication: 1876
• a: 12.41 ± 0.02 Å
• b: 16.793 ± 0.004 Å
• c: 9.731 ± 0.002 Å
• α: 105.17 ± 0.02°
• β: 97.21 ± 0.01°
• γ: 97.7 ± 0.04°
• Cell volume: 1912 ± 3 ų
• Cell temperature: 120.2 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 significantly intense reflections: 0.044
• Weighted residual factors for all reflections included in the refinement: 0.0912
• Goodness-of-fit parameter for all reflections included in the refinement: 1.748
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No