Information card for entry 7006481

Structure parameters

• Formula: C36 H28 Ag2 F12 Fe2 N8 P2
• Calculated formula: C36 H28 Ag2 F12 Fe2 N8 P2
• SMILES: [Ag]1[n]2cc([c]34[cH]5[cH]6[cH]7[cH]3[Fe]389%104567[c]4([cH]%10[cH]9[cH]8[cH]34)c3c[n]([Ag][n]4cc([c]56[cH]7[cH]8[cH]9[cH]5[Fe]5%10%11%126789[c]6([cH]5[cH]%10[cH]%11[cH]%126)c5c[n]1ccn5)ncc4)ccn3)ncc2.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Metal complexes from 1,1'-di(pyrazinyl)ferrocene: coordination polymers and bridged diferrocenes.
• Authors of publication: Mochida, Tomoyuki; Okazawa, Kazuya; Horikoshi, Ryo
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 5
• Pages of publication: 693 - 704
• a: 14.176 ± 0.004 Å
• b: 14.414 ± 0.004 Å
• c: 20.314 ± 0.005 Å
• α: 90°
• β: 103.132 ± 0.005°
• γ: 90°
• Cell volume: 4042.3 ± 1.9 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2028
• Residual factor for significantly intense reflections: 0.0807
• Weighted residual factors for significantly intense reflections: 0.1821
• Weighted residual factors for all reflections included in the refinement: 0.2209
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No