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Information card for entry 7006382
Preview
Coordinates | 7006382.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C78 H64 B2 N6 Zn |
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Calculated formula | C78 H64 B2 N6 Zn |
SMILES | [Zn]123([n]4ccccc4c4[n]1cccc4)([n]1ccccc1c1[n]2cccc1)[n]1ccccc1c1[n]3cccc1.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1 |
Title of publication | Structural systematics of the [Cu(chelate)3][Y]2 series. An interesting crystallographic structural insight involving vibronic coupling and the Jahn-Teller effect (JTE). The syntheses and low temperature crystal structures of tris(2,2'bipyridyl)copper(II) tetraphenylborate and tris(2,2'bipyridyl)zinc(II) tetraphenylborate. |
Authors of publication | Murphy, Brian; Aljabri, Moza; Ahmed, Aaleya Mohamed; Murphy, Gillian; Hathaway, Brian J.; Light, Mark E.; Geilbrich, Thomas; Hursthouse, Michael B. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2006 |
Journal issue | 2 |
Pages of publication | 357 - 367 |
a | 12.517 ± 0.0003 Å |
b | 14.735 ± 0.0003 Å |
c | 34.205 ± 0.001 Å |
α | 90° |
β | 98.225 ± 0.0007° |
γ | 90° |
Cell volume | 6243.8 ± 0.3 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1733 |
Residual factor for significantly intense reflections | 0.0612 |
Weighted residual factors for significantly intense reflections | 0.1193 |
Weighted residual factors for all reflections included in the refinement | 0.1531 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.948 |
Diffraction radiation probe | x-ray |
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/7006382.html
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