Crystallography Open Database

Information card for entry 4065897

Preview

Coordinates	4065897.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H39 Cl2 O0.5 Zr2
Calculated formula	C22 H39 Cl2 O0.5 Zr2
Title of publication	Syntheses and Structures of Zirconium Tetranuclear Polyhydrides
Authors of publication	Liu, Fu-Chen; Chu, Yong-Jui; Yang, Chien-Chan; Lee, Gene-Hsian; Peng, Shie-Ming
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	12
Pages of publication	2685
a	16.0703 ± 0.0009 Å
b	16.0703 ± 0.0009 Å
c	9.6812 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	2500.2 ± 0.3 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
Space group number	113
Hermann-Mauguin space group symbol	P -4 21 m
Hall space group symbol	P -4 2ab
Residual factor for all reflections	0.0638
Residual factor for significantly intense reflections	0.0572
Weighted residual factors for significantly intense reflections	0.1367
Weighted residual factors for all reflections included in the refinement	0.1402
Goodness-of-fit parameter for all reflections included in the refinement	1.056
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4065897.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4065897.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4065897.cif
33721	2012-02-13	../uploads/cif-deposit/cod/cif Adding structures of 4065894, 4065895, 4065896, 4065897, 4065898, 4065899 via cif-deposit CGI script.	4065897.cif