Information card for entry 2010769

Structure parameters

• Chemical name: Bis[bis(diethylenetriamine)Zinc(II)] ferrocyanide tetrahydrate [Zn(dien)~2~]~2~Fe(CN)~6~. 4H~2~O, (dien = diethylenetriamine, NH~2~CH=CHNHCH=CHNH~2~)
• Formula: C22 H60 Fe N18 O4 Zn2
• Calculated formula: C22 H60 Fe N18 O4 Zn2
• SMILES: C1C[NH]2CC[NH2][Zn]342([NH2]1)[NH2]CC[NH]3CC[NH2]4.[Fe](C#N)(C#N)(C#N)(C#N)(C#N)C#N.O.O.C1C[NH]2CC[NH2][Zn]342([NH2]1)[NH2]CC[NH]3CC[NH2]4.O.O
• Title of publication: Bis[bis(diethylenetriamine)zinc(II)] hexacyanoferrate tetrahydrate
• Authors of publication: Razak, Ibrahim Abdul; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Tong, Ye-Xiang; Lu, Zhong-Lin; Kang, Bei-Sheng
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 3
• Pages of publication: 291 - 292
• a: 9.2597 ± 0.0002 Å
• b: 14.5473 ± 0.0003 Å
• c: 13.9263 ± 0.0002 Å
• α: 90°
• β: 90.726 ± 0.001°
• γ: 90°
• Cell volume: 1875.77 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.039
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for all reflections included in the refinement: 0.069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes