Crystallography Open Database

Information card for entry 4075875

Preview

Coordinates	4075875.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H30 Cl2 P2 Zr
Calculated formula	C26 H24 Cl2 P2 Zr
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	10.1403 ± 0.0018 Å
b	11.598 ± 0.002 Å
c	21.762 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	2559.4 ± 0.8 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0937
Residual factor for significantly intense reflections	0.0702
Weighted residual factors for significantly intense reflections	0.1692
Weighted residual factors for all reflections included in the refinement	0.1855
Goodness-of-fit parameter for all reflections included in the refinement	1.012
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	4075875.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4075875.cif
50717	2012-03-31	../uploads/cif-deposit/cod/cif Adding structures of 4075875 via cif-deposit CGI script.	4075875.cif