Crystallography Open Database

Information card for entry 4075874

Preview

Coordinates	4075874.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H21 Cl2 P Zr
Calculated formula	C22 H21 Cl2 P Zr
SMILES	[Zr]123456789(Cl)(Cl)[c]%10(P([c]%115[cH]6[c]57[c]8(cccc5)[cH]9%11)C(C)(C)C)[cH]1[c]12cccc[c]31[cH]4%10
Title of publication	Zirconium Complexes Involving 2-Phosphorus-Substituted Indenyl Fragments
Authors of publication	Kazul'kin, Denis N.; Ryabov, Alexey N.; Izmer, Vyatcheslav V.; Churakov, Andrei V.; Beletskaya, Irina P.; Burns, Carol J.; Voskoboynikov, Alexander Z.
Journal of publication	Organometallics
Year of publication	2005
Journal volume	24
Journal issue	12
Pages of publication	3024
a	8.5662 ± 0.0016 Å
b	20.264 ± 0.004 Å
c	11.765 ± 0.002 Å
α	90°
β	102.098 ± 0.004°
γ	90°
Cell volume	1996.9 ± 0.6 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
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	0.0824
Residual factor for significantly intense reflections	0.0573
Weighted residual factors for significantly intense reflections	0.1292
Weighted residual factors for all reflections included in the refinement	0.143
Goodness-of-fit parameter for all reflections included in the refinement	0.887
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
178647 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/58.	4075874.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4075874.cif
50716	2012-03-31	../uploads/cif-deposit/cod/cif Adding structures of 4075874 via cif-deposit CGI script.	4075874.cif