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Information card for entry 2241322
Preview
Coordinates | 2241322.cif |
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Structure factors | 2241322.hkl |
Original paper (by DOI) | HTML |
Chemical name | Bis{μ~2~-[(2-iminocyclopentylidene)methylidene]azanido-κ^2^<i>N</i>:<i>N</i>'}bis[(η^5^-pentamethylcyclopentadienyl)zirconium(IV)] hexane monosolvate |
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Formula | C58 H86 N4 Zr2 |
Calculated formula | C58 H86 N4 Zr2 |
Title of publication | Crystal structure of bis{μ~2~-[(2-iminocyclopentylidene)methylidene]azanido-κ^2^<i>N</i>:<i>N</i>'}bis[(η^5^-pentamethylcyclopentadienyl)zirconium(IV)] hexane monosolvate |
Authors of publication | Becker, Lisanne; Spannenberg, Anke; Arndt, Perdita; Rosenthal, Uwe |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2015 |
Journal volume | 71 |
Journal issue | 12 |
Pages of publication | m219 - m220 |
a | 13.4862 ± 0.0008 Å |
b | 16.9048 ± 0.0011 Å |
c | 13.0151 ± 0.0008 Å |
α | 90° |
β | 117.723 ± 0.0015° |
γ | 90° |
Cell volume | 2626.6 ± 0.3 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0412 |
Residual factor for significantly intense reflections | 0.0352 |
Weighted residual factors for significantly intense reflections | 0.0883 |
Weighted residual factors for all reflections included in the refinement | 0.0944 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
181914 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/13. |
2241322.cif 2241322.hkl |
170334 | 2015-11-15 | cif/ hkl/ Adding structures of 2241322 via cif-deposit CGI script. |
2241322.cif 2241322.hkl |
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Users of the data should acknowledge the original authors of the
structural data.