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Information card for entry 7027695
Preview
Coordinates | 7027695.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C14 H40 B16 N2 Ru |
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Calculated formula | C14 H40 B16 N2 Ru |
SMILES | N([C]1234[BH]567[CH]89%10[Ru]%11%12%13%14%15%16%17([BH]%1858[CH]58%12[BH]27%18[BH]248[BH]473[BH]169[BH]%10%114[BH]%13527)[CH]123[BH]45%14[BH]671[BH]182[BH]2%153[BH]398[C]871(NC(C)(C)C)[BH]156[CH]5%164[BH]%1723[BH]9815)C(C)(C)C |
Title of publication | Ferratricarbollide design for molecular assemblies: complexes [9,9′-(ButHN)2-commo-2,2′-M-closo-1,7,9-(C3B8H10)-1′,7′,9′-(C3B8H10)] (where M = Fe or Ru), the first examples of double-cluster metallatricarbollides † |
Authors of publication | Grüner, Bohumír; Teixidor, Francesc; Viñas, Clara; Sillanpää, Reijo; Kivekäs, Raikko; Štíbr, Bohumil |
Journal of publication | Journal of the Chemical Society, Dalton Transactions |
Year of publication | 1999 |
Journal issue | 19 |
Pages of publication | 3337 |
a | 11.846 ± 0.002 Å |
b | 19.816 ± 0.002 Å |
c | 11.089 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2603 ± 0.7 Å3 |
Cell temperature | 294 ± 2 K |
Ambient diffraction temperature | 294 ± 2 K |
Number of distinct elements | 5 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0396 |
Residual factor for significantly intense reflections | 0.0302 |
Weighted residual factors for significantly intense reflections | 0.0762 |
Weighted residual factors for all reflections included in the refinement | 0.0813 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
Diffraction radiation wavelength | 0.71069 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/7027695.html
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