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Information card for entry 4325894
Preview
Coordinates | 4325894.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | trans-tetrachlorido-bis(1H-pyrazole)osmium(IV)-cucurbit[7]uril hydrate |
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Formula | C48 H72.5 Cl4 N32 O25.25 Os |
Calculated formula | C48 H58 Cl4 N32 O25.25 Os |
Title of publication | En Route to Osmium Analogues of KP1019: Synthesis, Structure, Spectroscopic Properties and Antiproliferative Activity of trans-[OsIVCl4(Hazole)2] |
Authors of publication | Gabriel E. Büchel; Iryna N. Stepanenko; Michaela Hejl; Michael A. Jakupec; Bernhard K. Keppler; Vladimir B. Arion |
Journal of publication | Inorganic Chemistry |
Year of publication | 2011 |
Journal volume | 50 |
Pages of publication | 7690 - 7697 |
a | 31.5673 ± 0.0009 Å |
b | 16.9392 ± 0.0006 Å |
c | 14.3896 ± 0.0005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 7694.5 ± 0.4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 29 |
Hermann-Mauguin space group symbol | P c a 21 |
Hall space group symbol | P 2c -2ac |
Residual factor for all reflections | 0.0714 |
Residual factor for significantly intense reflections | 0.0486 |
Weighted residual factors for significantly intense reflections | 0.1187 |
Weighted residual factors for all reflections included in the refinement | 0.131 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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