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Information card for entry 7016373
Preview
Coordinates | 7016373.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C41 H34 F12 N10 O P2 Ru |
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Calculated formula | C41 H34 F12 N10 O P2 Ru |
SMILES | [Ru]123([n]4nc(c5ncccc5)c(c5cncnc5)cc4c4[n]1cccc4)([n]1c(c4[n]2cccc4)cccc1)[n]1c(c2[n]3cccc2)cccc1.O=C(C)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-] |
Title of publication | Substituted pyridazines as ligands in homoleptic (fac and mer) and heteroleptic Ru(ii) complexes. |
Authors of publication | Cooke, Gareth; O Máille, Gearóid M; Quesada, Roberto; Wang, Longsheng; Varughese, Sunil; Draper, Sylvia M. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 32 |
Pages of publication | 8206 - 8212 |
a | 10.9856 ± 0.001 Å |
b | 20.223 ± 0.0018 Å |
c | 20.3436 ± 0.0018 Å |
α | 90° |
β | 104.637 ± 0.002° |
γ | 90° |
Cell volume | 4372.9 ± 0.7 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 7 |
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 | 0.0548 |
Residual factor for significantly intense reflections | 0.039 |
Weighted residual factors for significantly intense reflections | 0.1009 |
Weighted residual factors for all reflections included in the refinement | 0.1119 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.11 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7016373.html
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