Information card for entry 7006477

Structure parameters

• Common name: PzClO4Cl
• Formula: C36 H28 Ag2 Cl2 Fe2 N8 O8
• Calculated formula: C36 H28 Ag2 Cl2 Fe2 N8 O8
• SMILES: [Fe]123456789[c]%10([cH]1[cH]2[cH]3[cH]4%10)c1c[n]([Ag][n]2cc(ncc2)[c]23[cH]4[Fe]%10%11%12%13%14%152([c]2([cH]%10[cH]%11[cH]%12[cH]%132)c2c[n]([Ag][n]%10cc(ncc%10)[c]%105[cH]6[cH]7[cH]8[cH]9%10)ccn2)[cH]4[cH]%14[cH]3%15)ccn1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• 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: 14.1873 ± 0.0015 Å
• b: 14.2776 ± 0.0015 Å
• c: 20.081 ± 0.002 Å
• α: 90°
• β: 102.238 ± 0.002°
• γ: 90°
• Cell volume: 3975.2 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.3094
• Residual factor for significantly intense reflections: 0.0956
• Weighted residual factors for significantly intense reflections: 0.2471
• Weighted residual factors for all reflections included in the refinement: 0.3289
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No