Information card for entry 7239315

Structure parameters

• Formula: C86 H54 Cl6 Fe9 O8 P2 Te2
• Calculated formula: C86 H54 Cl6 Fe9 O8 P2 Te2
• Title of publication: Structural and electrochemical aspects of tris(ferrocenyl/phenyl-ethynyl)phosphine ligated chalcogen bridged iron carbonyl clusters
• Authors of publication: Mathur, Pradeep; Rai, Dhirendra K.; Ji, Radhe Shyam; Pathak, Biswarup; Boodida, Sathyanarayana; Mobin, Shaikh M.
• Journal of publication: RSC Advances
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 48
• Pages of publication: 26025
• a: 13.5732 ± 0.0002 Å
• b: 14.7934 ± 0.0004 Å
• c: 23.9691 ± 0.0004 Å
• α: 93.64 ± 0.002°
• β: 102.402 ± 0.001°
• γ: 113.657 ± 0.002°
• Cell volume: 4244.84 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0481
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0979
• Weighted residual factors for all reflections included in the refinement: 0.1008
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No