Information card for entry 7225976

Structure parameters

• Formula: C8 H22 Cd2 N18 O6
• Calculated formula: C8 H22 Cd2 N18 O6
• SMILES: c12n3[n](nn1)[Cd]14(n5c(C[NH]1Cc1nnnn41)nn[n]5[Cd]13([NH](C2)Cc2nnnn12)([OH2])[OH2])([OH2])[OH2].O.O
• Title of publication: Zinc and cadmium complexes based on bis-(1H-tetrazol-5-ylmethyl/ylethyl)-amine ligands: structures and photoluminescence properties
• Authors of publication: Wang, Duo-Zhi; Fan, Jian-Zhong; Jia, Dianzeng; Du, Ceng-Ceng
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 35
• Pages of publication: 6708
• a: 7.7937 ± 0.0006 Å
• b: 14.2172 ± 0.0012 Å
• c: 10.3075 ± 0.0008 Å
• α: 90°
• β: 100.571 ± 0.002°
• γ: 90°
• Cell volume: 1122.73 ± 0.16 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0283
• Residual factor for significantly intense reflections: 0.0243
• Weighted residual factors for significantly intense reflections: 0.0605
• Weighted residual factors for all reflections included in the refinement: 0.0629
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No