Information card for entry 7053464

Structure parameters

• Common name: biferrocenyldiphosphene
• Formula: C47 H76 Fe2 P2 Si6
• Calculated formula: C47 H76 Fe2 P2 Si6
• SMILES: P(=Pc1c(cc(cc1C([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(C)C)[c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[c]2([cH]1[cH]6[cH]7[cH]82)[c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]6[cH]7[cH]82
• Title of publication: Synthesis, structures and properties of biferrocenyl- and ruthenocenyl-substituted diphosphenes
• Authors of publication: Sasamori, Takahiro; Hori, Akimi; Kaneko, Yoshikazu; Tokitoh, Norihiro
• Journal of publication: New Journal of Chemistry
• Year of publication: 2010
• Journal volume: 34
• Journal issue: 8
• Pages of publication: 1560
• a: 12.3334 ± 0.0003 Å
• b: 12.9518 ± 0.0004 Å
• c: 17.4667 ± 0.0005 Å
• α: 107.738 ± 0.001°
• β: 97.2601 ± 0.001°
• γ: 93.3283 ± 0.0016°
• Cell volume: 2622.37 ± 0.13 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 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: 0.0688
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0612
• Weighted residual factors for all reflections included in the refinement: 0.0669
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No