Crystallography Open Database

Information card for entry 4065894

Preview

Coordinates	4065894.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H23 B2 Cl Zr
Calculated formula	C10 H23 B2 Cl Zr
SMILES	[Zr]123456(Cl)([H][BH2][H]1)([H][BH2][H]2)[c]1([c]3([c]4([c]5([c]61C)C)C)C)C
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	7.2274 ± 0.0006 Å
b	14.5425 ± 0.0012 Å
c	13.4015 ± 0.0011 Å
α	90°
β	93.176 ± 0.002°
γ	90°
Cell volume	1406.4 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0308
Residual factor for significantly intense reflections	0.0277
Weighted residual factors for significantly intense reflections	0.0694
Weighted residual factors for all reflections included in the refinement	0.0709
Goodness-of-fit parameter for all reflections included in the refinement	1.112
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
178551 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/58.	4065894.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4065894.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4065894.cif
33721	2012-02-13	../uploads/cif-deposit/cod/cif Adding structures of 4065894, 4065895, 4065896, 4065897, 4065898, 4065899 via cif-deposit CGI script.	4065894.cif