Information card for entry 7217040

Structure parameters

• Common name: [Cu2(Hser-5Cl-sal)2(H2O)].CH3OH
• Formula: C21 H26 Cl2 Cu2 N2 O10
• Calculated formula: C21 H26 Cl2 Cu2 N2 O10
• SMILES: [Cu]123[O]4[Cu]5([NH]([C@H](C(=O)O5)CO)Cc5c4ccc(Cl)c5)([O]3c3c(C[NH]1[C@H](C(=O)O2)CO)cc(Cl)cc3)[OH2].OC
• Title of publication: Hierarchical importance of coordination and hydrogen bonds in the formation of homochiral 2D coordination polymers and 2D supramolecular assemblies
• Authors of publication: Kumar, Navnita; Khullar, Sadhika; Singh, Yogesh; Mandal, Sanjay K.
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 29
• Pages of publication: 6730
• a: 7.4137 ± 0.0004 Å
• b: 13.3645 ± 0.0007 Å
• c: 13.4407 ± 0.0007 Å
• α: 90°
• β: 103.816 ± 0.002°
• γ: 90°
• Cell volume: 1293.18 ± 0.12 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0213
• Residual factor for significantly intense reflections: 0.0202
• Weighted residual factors for significantly intense reflections: 0.0408
• Weighted residual factors for all reflections included in the refinement: 0.041
• Goodness-of-fit parameter for all reflections included in the refinement: 1.148
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No