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Information card for entry 1519319
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Coordinates | 1519319.cif |
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Formula | C55 H60 Cl13 N O P2 Ru2 |
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Calculated formula | C55 H60 Cl13 N O P2 Ru2 |
SMILES | Oc1ccc(N(C[P]([Ru]23456(Cl)(Cl)[c]7([cH]2[cH]3[c]4([cH]5[cH]67)C)C(C)C)(c2ccccc2)c2ccccc2)C[P]([Ru]23456(Cl)(Cl)[c]7([cH]6[cH]5[c]4([cH]3[cH]27)C)C(C)C)(c2ccccc2)c2ccccc2)cc1.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl |
Title of publication | C52H57NOP2Cl4Ru2 . 3CDCl3 |
Authors of publication | Smith, Matin, B.; Gelbrich, Thomas; Hursthouse, Michael B. |
Journal of publication | Crystal Structure Report Archive |
Year of publication | 2001 |
Pages of publication | 835 |
a | 19.1002 ± 0.0002 Å |
b | 21.7245 ± 0.0003 Å |
c | 29.1929 ± 0.0004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 12113.4 ± 0.3 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 7 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0838 |
Residual factor for significantly intense reflections | 0.049 |
Weighted residual factors for significantly intense reflections | 0.0932 |
Weighted residual factors for all reflections included in the refinement | 0.0995 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.12 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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