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Information card for entry 4063845
Preview
Coordinates | 4063845.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H41 Cl F6 Ir2 N5 P |
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Calculated formula | C32 H41 Cl F6 Ir2 N5 P |
SMILES | [Ir]12345(Cl)([n]6ccccc6C[N]61[Ir]178([n]9ccccc9C26)[CH]2=[CH]1CC[CH]7=[CH]8CC2)[CH]1=[CH]3CC[CH]4=[CH]5CC1.[P](F)(F)(F)(F)(F)[F-].N#CC.N#CC |
Title of publication | Binuclear [(cod)(Cl)Ir(bpi)Ir(cod)]+for Catalytic Water Oxidation |
Authors of publication | Dzik, Wojciech I.; Calvo, Sara E.; Reek, Joost N. H.; Lutz, Martin; Ciriano, Miguel A.; Tejel, Cristina; Hetterscheid, Dennis G. H.; de Bruin, Bas |
Journal of publication | Organometallics |
Year of publication | 2011 |
Journal volume | 30 |
Journal issue | 3 |
Pages of publication | 372 |
a | 11.3767 ± 0.0004 Å |
b | 12.2208 ± 0.0005 Å |
c | 13.9557 ± 0.0006 Å |
α | 102.708 ± 0.001° |
β | 99.606 ± 0.002° |
γ | 111.486 ± 0.001° |
Cell volume | 1694.53 ± 0.12 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 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 | 0.0148 |
Residual factor for significantly intense reflections | 0.0137 |
Weighted residual factors for significantly intense reflections | 0.032 |
Weighted residual factors for all reflections included in the refinement | 0.0324 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
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/4063845.html
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Users of the data should acknowledge the original authors of the
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