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Information card for entry 4070666
Preview
Coordinates | 4070666.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C33 H53 N5 O5 Ru |
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Calculated formula | C33 H53 N5 O5 Ru |
SMILES | [Ru]1(OC(=O)O1)([n]1ccccc1)(C#[O])(=C1N(C(=C(N1C(C)C)C)C)C(C)C)=C1N(C(=C(N1C(C)C)C)C)C(C)C.O1CCCC1 |
Title of publication | Cleavage of Ru3(CO)12by N-Heterocyclic Carbenes: Isolation ofcis- andtrans-Ru(NHC)2(CO)3and Reaction with O2To Form Ru(NHC)2(CO)2(CO3) |
Authors of publication | Ellul, Charles E.; Saker, Olly; Mahon, Mary F.; Apperley, David C.; Whittlesey, Michael K. |
Journal of publication | Organometallics |
Year of publication | 2008 |
Journal volume | 27 |
Journal issue | 1 |
Pages of publication | 100 |
a | 11.39 ± 0.0002 Å |
b | 18.2 ± 0.0002 Å |
c | 16.438 ± 0.0002 Å |
α | 90° |
β | 98.313 ± 0.001° |
γ | 90° |
Cell volume | 3371.76 ± 0.08 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0563 |
Residual factor for significantly intense reflections | 0.0371 |
Weighted residual factors for significantly intense reflections | 0.0819 |
Weighted residual factors for all reflections included in the refinement | 0.0899 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
178595 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/06. |
4070666.cif |
120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4070666.cif |
47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4070666.cif |
42628 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4070660, 4070661, 4070662, 4070663, 4070664, 4070665, 4070666 via cif-deposit CGI script. |
4070666.cif |
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Users of the data should acknowledge the original authors of the
structural data.