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Information card for entry 7016005
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Coordinates | 7016005.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | ((Fe((3,5- Me2pz)3CH))2(C10H(CH2OCH2C(pz)3)2))(BF4)4(MeCN)2.5(DME)2 |
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Chemical name | [{Fe((3,5-Me2pz)3CH)}2(C10H(CH2OCH2C(pz)3]2)](BF4)4(MeCN)2.5(DME)2 |
Formula | C79 H103.5 B4 F16 Fe2 N26.5 O6 |
Calculated formula | C79 H103.5 B4 F16 Fe2 N26.5 O6 |
Title of publication | Spin crossover in di-, tri- and tetranuclear, mixed-ligand tris(pyrazolyl)methane iron(ii) complexes. |
Authors of publication | Schneider, Caspar J.; Moubaraki, Boujemaa; Cashion, John D.; Turner, David R.; Leita, Benjamin A.; Batten, Stuart R.; Murray, Keith S. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 26 |
Pages of publication | 6939 - 6951 |
a | 14.1238 ± 0.0006 Å |
b | 16.4661 ± 0.0009 Å |
c | 23.001 ± 0.0012 Å |
α | 69.346 ± 0.003° |
β | 82.768 ± 0.003° |
γ | 70.093 ± 0.003° |
Cell volume | 4706.2 ± 0.4 Å3 |
Cell temperature | 123 ± 1 K |
Ambient diffraction temperature | 123 ± 1 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1097 |
Residual factor for significantly intense reflections | 0.074 |
Weighted residual factors for significantly intense reflections | 0.2059 |
Weighted residual factors for all reflections included in the refinement | 0.2365 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
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/7016005.html
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Users of the data should acknowledge the original authors of the
structural data.