Crystallography Open Database

Information card for entry 2241438

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Structure parameters

Chemical name	Tris(dimethylamido-κ<i>N</i>)bis(dimethylamine-κ<i>N</i>)zirconium(IV) iodide
Formula	C10 H32 I N5 Zr
Calculated formula	C10 H32 I N5 Zr
SMILES	C[NH](C)[Zr]([NH](C)C)(N(C)C)(N(C)C)N(C)C.[I-]
Title of publication	Crystal structure of tris(dimethylamido-κ<i>N</i>)bis(dimethylamine-κ<i>N</i>)zirconium(IV) iodide
Authors of publication	Clark, Wesley D.; Akurathi, Gopalakrishna; Valle, Henry U.; Hollis, T. Keith
Journal of publication	Acta Crystallographica Section E
Year of publication	2016
Journal volume	72
Journal issue	1
Pages of publication	73 - 75
a	14.2425 ± 0.0003 Å
b	15.4113 ± 0.0003 Å
c	16.8537 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	3699.31 ± 0.12 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100.01 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	0.0173
Residual factor for significantly intense reflections	0.0146
Weighted residual factors for significantly intense reflections	0.0351
Weighted residual factors for all reflections included in the refinement	0.0363
Goodness-of-fit parameter for all reflections included in the refinement	1.067
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181915 (current)	2016-04-06	hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/14.	2241438.cif 2241438.hkl
176653	2016-02-17	cif/ Updating files of 2241438 Original log message: Adding full bibliography for 2241438.cif.	2241438.cif 2241438.hkl
176600	2016-02-17	cif/ Updating files of 2241438 Original log message: Adding full bibliography for 2241438.cif.	2241438.cif 2241438.hkl
171649	2015-12-20	cif/ hkl/ Adding structures of 2241438 via cif-deposit CGI script.	2241438.cif 2241438.hkl