Information card for entry 7007071

Structure parameters

• Formula: C27 H26 Fe2 P2 Se6
• Calculated formula: C27 H18 Fe2 P2 Se6
• Title of publication: Synthesis and characterisation of four- and six-membered P-Se heterocycles.
• Authors of publication: Parveen, Sahrah; Kilian, Petr; Slawin, Alexandra M. Z.; Woollins, J. Derek
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 21
• Pages of publication: 2586 - 2590
• a: 9.3608 ± 0.0009 Å
• b: 11.4041 ± 0.001 Å
• c: 14.3898 ± 0.0013 Å
• α: 98.515 ± 0.004°
• β: 90.548 ± 0.005°
• γ: 94.704 ± 0.004°
• Cell volume: 1513.7 ± 0.2 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 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: 0.041
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.079
• Weighted residual factors for all reflections included in the refinement: 0.0816
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No