Information card for entry 4511696

Structure parameters

• Formula: C28 H36 Cd4 Cl8 N4 O4
• Calculated formula: C28 H36 Cd4 Cl8 N4 O4
• SMILES: c1cccc2CC[OH][Cd]345([n]12)[Cl]1[Cd]2([n]6ccccc6CC[OH]2)([Cl]4)([Cl][Cd]241([n]1ccccc1CC[OH]2)[Cl][Cd]1([Cl]3)(Cl)([n]2ccccc2CC[OH]1)[Cl]54)Cl
• Title of publication: Acid-Driven Dimensionality Control of Cd(II) Complexes: From Discrete Double Open Cubane to One- and Three-Dimensional Networks
• Authors of publication: Mobin, Shaikh M.; Mishra, Veenu; Chaudhary, Archana; Rai, Dhirendra K.; Golov, Andrey A.; Mathur, Pradeep
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 8
• Pages of publication: 4124
• a: 9.513 ± 0.002 Å
• b: 10.681 ± 0.004 Å
• c: 10.952 ± 0.002 Å
• α: 98.71 ± 0.02°
• β: 98.47 ± 0.02°
• γ: 115.03 ± 0.03°
• Cell volume: 968.5 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0664
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1832
• Weighted residual factors for all reflections included in the refinement: 0.1996
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No