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Information card for entry 4305819
Preview
Coordinates | 4305819.cif |
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Original paper (by DOI) | HTML |
Formula | C23.5 H15 Cl2 N4 O3 Re |
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Calculated formula | C23.5 H14 Cl2 N4 O3 Re |
Title of publication | Probing the Solvent Dependent Photophysics of fac-[Re(CO)3(dppz-X2)Cl] (dppz-X2= 11,12-X2-dipyrido[3,2-a:2',3'-c]phenazine); X = CH3, H, F, Cl, CF3) |
Authors of publication | Marina K. Kuimova; Wassim Z. Alsindi; Alexander J. Blake; E. Stephen Davies; Daniele J. Lampus; Pavel Matousek; Jonathan McMaster; Anthony W. Parker; Michael Towrie; Xue-Zhong Sun; Claire Wilson; Michael W. George |
Journal of publication | Inorganic Chemistry |
Year of publication | 2008 |
Journal volume | 47 |
Pages of publication | 9857 - 9869 |
a | 13.5854 ± 0.001 Å |
b | 18.1464 ± 0.0013 Å |
c | 18.5411 ± 0.0013 Å |
α | 90° |
β | 104.632 ± 0.001° |
γ | 90° |
Cell volume | 4422.6 ± 0.6 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 6 |
Space group number | 15 |
Hermann-Mauguin space group symbol | I 1 2/a 1 |
Hall space group symbol | -I 2ya |
Residual factor for all reflections | 0.0303 |
Residual factor for significantly intense reflections | 0.0265 |
Weighted residual factors for significantly intense reflections | 0.0741 |
Weighted residual factors for all reflections included in the refinement | 0.076 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.925 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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