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Information card for entry 7029129
Preview
Coordinates | 7029129.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H29 Br2 Mn N5 Ni O2 S10 |
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Calculated formula | C30 H29 Br2 Mn N5 Ni O2 S10 |
SMILES | Brc1ccc2c(c1)C=[N]1CCC[NH]3CC[NH]4CCC[N]5=Cc6cc(Br)ccc6O[Mn]1345O2.C12=C(S[Ni]3(S1)SC1=C(S3)SC(=S)S1)SC(=S)S2.C(#N)C |
Title of publication | Spin-crossover phenomena of the mononuclear Mn(III) complex tuned by metal dithiolene counteranions. |
Authors of publication | Chen, Ying; Cao, Fan; Wei, Rong-Min; Zhang, Yang; Zhang, Yi-Quan; Song, You |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2014 |
Journal volume | 43 |
Journal issue | 9 |
Pages of publication | 3783 - 3791 |
a | 10.906 ± 0.0009 Å |
b | 12.1826 ± 0.001 Å |
c | 16.1265 ± 0.0013 Å |
α | 94.234 ± 0.001° |
β | 104.183 ± 0.001° |
γ | 92.672 ± 0.002° |
Cell volume | 2067 ± 0.3 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 8 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0543 |
Residual factor for significantly intense reflections | 0.0364 |
Weighted residual factors for significantly intense reflections | 0.0857 |
Weighted residual factors for all reflections included in the refinement | 0.093 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
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/7029129.html
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