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Information card for entry 4070614
Preview
Coordinates | 4070614.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | (7-azaindol-7-ylboranato)-cis-bis(triphenylphosphine)rhodium(I) THF solvate |
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Formula | C47 H46 B N2 O P2 Rh |
Calculated formula | C47 H46 B N2 O P2 Rh |
SMILES | [Rh]123([P](c4ccccc4)(c4ccccc4)c4ccccc4)([P](c4ccccc4)(c4ccccc4)c4ccccc4)n4ccc5ccc[n]([BH]1([H]2)[H]3)c45.O1CCCC1 |
Title of publication | 7-Azaindol-7-ylborate: A Novel Bidentate N^BH3Chelating Ligand |
Authors of publication | Wagler, Jörg; Hill, Anthony F. |
Journal of publication | Organometallics |
Year of publication | 2008 |
Journal volume | 27 |
Journal issue | 10 |
Pages of publication | 2350 |
a | 10.5388 ± 0.0001 Å |
b | 12.5141 ± 0.0002 Å |
c | 15.3891 ± 0.0002 Å |
α | 95.952 ± 0.001° |
β | 95.274 ± 0.001° |
γ | 101.739 ± 0.001° |
Cell volume | 1963.05 ± 0.05 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0395 |
Residual factor for significantly intense reflections | 0.0298 |
Weighted residual factors for significantly intense reflections | 0.0704 |
Weighted residual factors for all reflections included in the refinement | 0.0734 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
4070614.cif |
120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4070614.cif |
47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4070614.cif |
42592 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4070614 via cif-deposit CGI script. |
4070614.cif |
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Users of the data should acknowledge the original authors of the
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