Information card for entry 2012801

Structure parameters

• Chemical name: μ-Cyano-1:2κ^2^C:N-tetracyano-1κ^4^C-(5-methyl-5-nitro-3,7-diazanonane- 1,9-diamine-2κ^4^N)-nitrosyl-1κN-copper(II)iron(II) dihydrate
• Formula: C13 H25 Cu Fe N11 O5
• Calculated formula: C13 H25 Cu Fe N11 O5
• Title of publication: μ-Cyano-1:2κ^2^<i>C</i>:<i>N</i>-tetracyano-1κ^4^<i>C</i>-(5-methyl-5-nitro-3,7-diazanonane-1,9-diamine-2κ^4^<i>N</i>^1,3,7,9^)-nitrosyl-1κ<i>N</i>-copper(II)iron(II) dihydrate
• Authors of publication: Shen, Liang; Zhang, Yi-Jian; Sheng, Guo-Ding; Wang, Hua-Tong
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 7
• Pages of publication: m382 - m384
• a: 8.47 ± 0.002 Å
• b: 9.702 ± 0.002 Å
• c: 14.648 ± 0.003 Å
• α: 85.55 ± 0.01°
• β: 80.11 ± 0.02°
• γ: 68.2 ± 0.01°
• Cell volume: 1100.9 ± 0.4 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.029
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.066
• Weighted residual factors for all reflections included in the refinement: 0.067
• 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: Yes