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Information card for entry 4106345
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Coordinates | 4106345.cif |
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Original paper (by DOI) | HTML |
Common name | [Au2(dppe)2Br2].CH3CN |
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Formula | C54 H51 Au2 Br2 N P4 |
Calculated formula | C54 H51 Au2 Br2 N P4 |
Title of publication | Molecular Accordion: Vapoluminescence and Molecular Flexibility in the Orange and Green Luminescent Crystals of the Dimer, Au2(μ-bis-(diphenylphosphino)ethane)2Br2 |
Authors of publication | Sang Ho Lim; Marilyn M. Olmstead; Alan L. Balch |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2011 |
Journal volume | 133 |
Pages of publication | 10229 - 10238 |
a | 11.8336 ± 0.0004 Å |
b | 14.4702 ± 0.0005 Å |
c | 15.2751 ± 0.0005 Å |
α | 77.09 ± 0.002° |
β | 78.172 ± 0.002° |
γ | 80.294 ± 0.003° |
Cell volume | 2474.62 ± 0.15 Å3 |
Cell temperature | 90 ± 2 K |
Ambient diffraction temperature | 90 ± 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 | 0.019 |
Residual factor for significantly intense reflections | 0.0166 |
Weighted residual factors for significantly intense reflections | 0.0398 |
Weighted residual factors for all reflections included in the refinement | 0.0406 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
178809 (current) | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/63. |
4106345.cif |
91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4106345.cif |
53145 | 2012-04-18 | cif/ Adding structures of 4106345 via cif-deposit CGI script. |
4106345.cif |
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Users of the data should acknowledge the original authors of the
structural data.