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Information card for entry 1556702
Preview
Coordinates | 1556702.cif |
---|---|
Structure factors | 1556702.hkl |
Original paper (by DOI) | HTML |
Chemical name | Bis{2,6-bis[(<i>E</i>)-(4-fluorobenzylimino)methyl]pyridine}nickel(II) dinitrate dihydrate |
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Formula | C42 H38 F4 N8 Ni O8 |
Calculated formula | C42 H38 F4 N8 Ni O8 |
SMILES | [Ni]1234([n]5c(cccc5C=[N]1Cc1ccc(F)cc1)C=[N]2Cc1ccc(F)cc1)[n]1c(cccc1C=[N]3Cc1ccc(F)cc1)C=[N]4Cc1ccc(F)cc1.N(=O)(=O)[O-].N(=O)(=O)[O-].O.O |
Title of publication | Bis{2,6-bis[(<i>E</i>)-(4-fluorobenzylimino)methyl]pyridine}nickel(II) dinitrate dihydrate |
Authors of publication | Johnson, Corey R.; Basaran, Ismet; Rhaman, Md Mhahabubur; Powell, Douglas R.; Hossain, Md. Alamgir |
Journal of publication | IUCrData |
Year of publication | 2019 |
Journal volume | 4 |
Journal issue | 12 |
Pages of publication | x191688 |
a | 17.0353 ± 0.0013 Å |
b | 18.7759 ± 0.0014 Å |
c | 25.4659 ± 0.0018 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 8145.3 ± 1 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0432 |
Residual factor for significantly intense reflections | 0.0347 |
Weighted residual factors for significantly intense reflections | 0.0989 |
Weighted residual factors for all reflections included in the refinement | 0.1094 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.008 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
245483 (current) | 2019-12-21 | cif/ hkl/ Adding structures of 1556702 via cif-deposit CGI script. |
1556702.cif 1556702.hkl |
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Users of the data should acknowledge the original authors of the
structural data.