Information card for entry 7045135

Structure parameters

• Formula: C65 H66.5 F18 Fe4 N17.5 O29 S6
• Calculated formula: C65 H66.5 F18 Fe4 N17.5 O29 S6
• Title of publication: A new nitrogen rich open chain diazine ligand system: synthesis coordination chemistry and magneto-structural studies.
• Authors of publication: Anwar, Muhammad U.; Al-Harrasi, Ahmed; Gavey, Emma L.; Pilkington, Melanie; Rawson, Jeremy M.; Thompson, Laurence K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 8
• Pages of publication: 2511 - 2521
• a: 15.2861 ± 0.001 Å
• b: 18.7512 ± 0.0011 Å
• c: 19.8454 ± 0.0012 Å
• α: 79.965 ± 0.002°
• β: 76.015 ± 0.002°
• γ: 68.805 ± 0.002°
• Cell volume: 5122.6 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1033
• Residual factor for significantly intense reflections: 0.0684
• Weighted residual factors for significantly intense reflections: 0.1614
• Weighted residual factors for all reflections included in the refinement: 0.2082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No