Crystallography Open Database

Information card for entry 7008538

Preview

Coordinates	7008538.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H29 Cl N P Zr
Calculated formula	C30 H29 Cl N P Zr
SMILES	[Zr]123456789(Cl)(N([P]9(c9ccccc9)c9ccccc9)[C@H](c9ccccc9)C)([cH]9[cH]1[cH]2[cH]3[cH]49)[cH]1[cH]5[cH]6[cH]7[cH]81
Title of publication	Zirconium complexes having a chiral phosphanylamide in the co-ordination sphere.
Authors of publication	Wiecko, Michal; Girnt, Denise; Rastätter, Marcus; Panda, Tarun K.; Roesky, Peter W.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2005
Journal issue	12
Pages of publication	2147 - 2150
a	8.7121 ± 0.0017 Å
b	10.833 ± 0.002 Å
c	13.593 ± 0.003 Å
α	90°
β	94.471 ± 0.004°
γ	90°
Cell volume	1279 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0176
Residual factor for significantly intense reflections	0.0167
Weighted residual factors for significantly intense reflections	0.044
Weighted residual factors for all reflections included in the refinement	0.0443
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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
179789 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/85.	7008538.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7008538.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7008538.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7008538.cif