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Information card for entry 7029401
Preview
Coordinates | 7029401.cif |
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Original paper (by DOI) | HTML |
Formula | C26 H29 N3 Ni O3 |
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Calculated formula | C26 H29 N3 Ni O3 |
SMILES | [Ni]1234(ON(=O)=O)([cH]5[cH]1[cH]2[cH]3[cH]45)=C1N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C |
Title of publication | Anion exchange in [Ni(η(5)-C5H4R)(Cl)(NHC)]. Counterion effect on the structure and catalytic activity. |
Authors of publication | Buchowicz, Włodzimierz; Banach, Lukasz; Conder, Joanna; Guńka, Piotr A; Kubicki, Dominik; Buchalski, Piotr |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2014 |
Journal volume | 43 |
Journal issue | 15 |
Pages of publication | 5847 - 5857 |
a | 17.6218 ± 0.0003 Å |
b | 12.2104 ± 0.0003 Å |
c | 22.7534 ± 0.0004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4895.83 ± 0.17 Å3 |
Cell temperature | 293 K |
Ambient diffraction temperature | 293 K |
Number of distinct elements | 5 |
Space group number | 29 |
Hermann-Mauguin space group symbol | P c a 21 |
Hall space group symbol | P 2c -2ac |
Residual factor for all reflections | 0.0606 |
Residual factor for significantly intense reflections | 0.0532 |
Weighted residual factors for significantly intense reflections | 0.1444 |
Weighted residual factors for all reflections included in the refinement | 0.1516 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
Diffraction radiation wavelength | 0.7107 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/7029401.html
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