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Information card for entry 7027147
Preview
Coordinates | 7027147.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H21 B F4 N4 Ni O2 S4 |
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Calculated formula | C20 H21 B F4 N4 Ni O2 S4 |
SMILES | [Ni]1234(N=C=S)[n]5c6ccc7c5c5[n]1c(ccc5cc7)C[S]2CC[S]3CC[S]4C6.[B](F)(F)(F)[F-].CN(=O)=O |
Title of publication | Mixed aza‒thia crowns containing the 1,10-phenanthroline sub-unit. Substitution reactions in [NiL(MeCN)][BF4]2 {L = 2,5,8-trithia[9](2,9)-1,10-phenanthrolinophane} † |
Authors of publication | Blake, Alexander J.; Casabò, Jaume; Devillanova, Francesco A.; Escriche, Lluis; Garau, Alessandra; Isaia, Francesco; Lippolis, Vito; Kivekas, Raikko; Muns, Vincens; Schröder, Martin; Sillanpää, Reijo; Verani, Gaetano |
Journal of publication | Journal of the Chemical Society, Dalton Transactions |
Year of publication | 1999 |
Journal issue | 7 |
Pages of publication | 1085 |
a | 15.606 ± 0.002 Å |
b | 12.2919 ± 0.0006 Å |
c | 13.671 ± 0.002 Å |
α | 90° |
β | 110.749 ± 0.013° |
γ | 90° |
Cell volume | 2452.4 ± 0.5 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 8 |
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 | 0.0523 |
Residual factor for significantly intense reflections | 0.0338 |
Weighted residual factors for significantly intense reflections | 0.0691 |
Weighted residual factors for all reflections included in the refinement | 0.0715 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.826 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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