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Information card for entry 4501265
Preview
Coordinates | 4501265.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H86 Br10 Ce4 O14 |
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Calculated formula | C30 H86 Br10 Ce4 O14 |
SMILES | C(C)(C)[OH][Ce]1234([OH]C(C)C)([OH2])[O]5[Ce]6([OH]C(C)C)([OH]C(C)C)([Br][Ce]75([OH]C(C)C)([OH]C(C)C)([OH2])([O]3[Ce]([Br]1)([Br]2)(Br)([OH]C(C)C)([OH]C(C)C)(Br)[Br]7)[Br]6)(Br)(Br)[Br]4.OC(C)C.OC(C)C |
Title of publication | Crystal Growth, Structural Motifs, and Optical Properties of Molecular and Polymeric Cerium Halide Materials |
Authors of publication | Vaughn, Shae Anne; Severance, Rachel C.; Smith, Mark D.; zur Loye, Hans-Conrad |
Journal of publication | Crystal Growth & Design |
Year of publication | 2011 |
Journal volume | 11 |
Journal issue | 11 |
Pages of publication | 5072 |
a | 10.9064 ± 0.0007 Å |
b | 11.6119 ± 0.0008 Å |
c | 14.151 ± 0.001 Å |
α | 108.177 ± 0.001° |
β | 111.473 ± 0.001° |
γ | 95.749 ± 0.001° |
Cell volume | 1537.25 ± 0.18 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.026 |
Residual factor for significantly intense reflections | 0.0208 |
Weighted residual factors for significantly intense reflections | 0.0451 |
Weighted residual factors for all reflections included in the refinement | 0.0465 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4501265.html
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