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Information card for entry 4328681
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4328681.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H22 Mo N6 |
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Calculated formula | C30 H22 Mo N6 |
SMILES | [Mo]1234([n]5ccccc5c5cccc([n]15)c1cccc[n]21)[n]1ccccc1c1cccc([n]31)c1cccc[n]41 |
Title of publication | Experimental Fingerprints for Redox-Active Terpyridine in [Cr(tpy)2](PF6)n (n = 3-0), and the Remarkable Electronic Structure of [Cr(tpy)2]1- |
Authors of publication | Christopher C. Scarborough; Kyle M. Lancaster; Serena DeBeer; Thomas Weyhermüller; Stephen Sproules; Karl Wieghardt |
Journal of publication | Inorganic Chemistry |
Year of publication | 2012 |
Journal volume | 51 |
Pages of publication | 3718 - 3732 |
a | 39.484 ± 0.006 Å |
b | 56.962 ± 0.008 Å |
c | 8.3177 ± 0.0012 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 18707 ± 5 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 43 |
Hermann-Mauguin space group symbol | F d d 2 |
Hall space group symbol | F 2 -2d |
Residual factor for all reflections | 0.0532 |
Residual factor for significantly intense reflections | 0.0349 |
Weighted residual factors for significantly intense reflections | 0.0602 |
Weighted residual factors for all reflections included in the refinement | 0.0659 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4328681.html
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Users of the data should acknowledge the original authors of the
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