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Information card for entry 2019847
Preview
Coordinates | 2019847.cif |
---|---|
Structure factors | 2019847.hkl |
Original IUCr paper | HTML |
Chemical name | Chlorido(2-{1-[2-(4-chlorophenyl)hydrazin-1-ylidene-κ<i>N</i>]ethyl}pyridine-κ<i>N</i>)(η^5^-pentamethylcyclopentadienyl)rhodium(III) chloride |
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Formula | C23 H27 Cl3 N3 Rh |
Calculated formula | C23 H27 Cl3 N3 Rh |
SMILES | c1cccc2C(=[N](Nc3ccc(cc3)Cl)[Rh]3456([c]7([c]3([c]4([c]5([c]67C)C)C)C)C)(Cl)[n]12)C.[Cl-] |
Title of publication | Crystal structure of chlorido(2-{1-[2-(4-chlorophenyl)hydrazin-1-ylidene-κN]ethyl}pyridine-κN)(η5-pentamethylcyclopentadienyl)rhodium(III) chloride |
Authors of publication | Devika, Neelakandan; Raja, Nandhagopal; Ananthalakshmi, Subbiah; Therrien, Bruno |
Journal of publication | Acta Crystallographica Section E Crystallographic Communications |
Year of publication | 2015 |
Journal volume | 71 |
Journal issue | 3 |
Pages of publication | 248 |
a | 13.0774 ± 0.0005 Å |
b | 13.4537 ± 0.0005 Å |
c | 26.5153 ± 0.0009 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4665.1 ± 0.3 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0587 |
Residual factor for significantly intense reflections | 0.0318 |
Weighted residual factors for significantly intense reflections | 0.0501 |
Weighted residual factors for all reflections included in the refinement | 0.0535 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.958 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
181868 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/98. |
2019847.cif 2019847.hkl |
180866 | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/98. |
2019847.cif 2019847.hkl |
176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2019847.cif 2019847.hkl |
131555 | 2015-02-08 | cif/ hkl/ Adding structures of 2019847 via cif-deposit CGI script. |
2019847.cif 2019847.hkl |
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Users of the data should acknowledge the original authors of the
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