Crystallography Open Database

Information card for entry 2238925

Preview

Coordinates	2238925.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Tetrachlorido[<i>N</i>^2^,<i>N</i>^2'^-(dimethylsilanediyl)bis(<i>N</i>-<i>tert</i>-butyl-3-methylbenzimidamide)-κ^2^<i>N</i>^2^,<i>N</i>^2'^]hafnium(IV)
Formula	C26 H40 Cl4 Hf N4 Si
Calculated formula	C26 H40 Cl4 Hf N4 Si
SMILES	C(C)(C)(C)NC(c1cc(ccc1)C)=[N]1[Hf](Cl)(Cl)([N](=C(c2cc(ccc2)C)NC(C)(C)C)[Si]1(C)C)(Cl)Cl
Title of publication	Tetrachlorido[<i>N</i>^2^,<i>N</i>^2'^-(dimethylsilanediyl)bis(<i>N</i>-<i>tert</i>-butyl-3-methylbenzimidamidato)-κ^2^<i>N</i>^2^,<i>N</i>^2'^]hafnium(IV)
Authors of publication	Wang, Tao; Zhao, Jian-Ping; Bai, Sheng-Di
Journal of publication	Acta Crystallographica Section E
Year of publication	2013
Journal volume	69
Journal issue	12
Pages of publication	m654
a	9.4373 ± 0.0014 Å
b	17.992 ± 0.003 Å
c	19.966 ± 0.003 Å
α	90°
β	103.276 ± 0.003°
γ	90°
Cell volume	3299.5 ± 0.9 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0384
Residual factor for significantly intense reflections	0.0283
Weighted residual factors for significantly intense reflections	0.057
Weighted residual factors for all reflections included in the refinement	0.0606
Goodness-of-fit parameter for all reflections included in the refinement	1.02
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176798 (current)	2016-02-21	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23.	2238925.cif
92344	2014-01-12	cif/ Adding structures of 2238925 via cif-deposit CGI script.	2238925.cif