Information card for entry 7245172

Structure parameters

• Common name: Gadolinium-Organic Compound
• Formula: C11 H4.5 Gd N1.5 O14
• Calculated formula: C11 H4.5 Gd N1.5 O14
• Title of publication: Stabilization of CO2 as zwitterionic carbamate within a coordination polymer (CP): synthesis, structure and anion sensing behaviour of a Tb-CP composite
• Authors of publication: Sarkar, Sourav; Singha, Debal Kanti; Majee, Prakash; Daga, Pooja; Mondal, Sudip Kumar; Mahata, Partha
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 20.0564 ± 0.0016 Å
• b: 10.9978 ± 0.0008 Å
• c: 17.5059 ± 0.0013 Å
• α: 90°
• β: 111.797 ± 0.002°
• γ: 90°
• Cell volume: 3585.3 ± 0.5 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0316
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0924
• Weighted residual factors for all reflections included in the refinement: 0.1005
• Goodness-of-fit parameter for all reflections included in the refinement: 1.207
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No