Information card for entry 7114931

Structure parameters

• Formula: C43.07 H29.14 Cl0.14 Fe4 O15 P3
• Calculated formula: C43.07 H29.14 Cl0.14 Fe4 O15 P3
• Title of publication: Poly-carbon chemistry: reactions of the multi-site coordinated diyndiyl ligand in {Fe2(CO)6(μ-PPh2)}2(μ-η1,η2∶μ-η1,η2-CC‒CC) with the nucleophiles P(OMe)3 and NHEt2
• Authors of publication: Low, Paul J.; Carty, Arthur J.; Udachin, Konstantin A.; Enright, Gary D.
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 5
• Pages of publication: 411
• a: 10.9884 ± 0.0005 Å
• b: 11.1706 ± 0.0005 Å
• c: 22.056 ± 0.001 Å
• α: 81.648 ± 0.001°
• β: 75.714 ± 0.001°
• γ: 61.359 ± 0.001°
• Cell volume: 2301.41 ± 0.18 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0626
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1175
• Weighted residual factors for all reflections included in the refinement: 0.1243
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No