Crystallography Open Database

Information card for entry 4080460

Preview

Coordinates	4080460.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H92 Se Si4 Zr4
Calculated formula	C48 H90 Se Si4 Zr4
Title of publication	Tetranuclear Zirconium and Hafnium Polyhydride Complexes Composed of the “CpMH2” Units
Authors of publication	Hu, Shaowei; Shima, Takanori; Luo, Yi; Hou, Zhaomin
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	7
Pages of publication	2145
a	23.09 ± 0.005 Å
b	12.098 ± 0.003 Å
c	24.031 ± 0.005 Å
α	90°
β	110.088 ± 0.004°
γ	90°
Cell volume	6305 ± 2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.061
Residual factor for significantly intense reflections	0.0343
Weighted residual factors for significantly intense reflections	0.0573
Weighted residual factors for all reflections included in the refinement	0.0597
Goodness-of-fit parameter for all reflections included in the refinement	1.201
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
178693 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/04.	4080460.cif
85932	2013-05-07	cif/ Adding structures of 4080456, 4080457, 4080458, 4080459, 4080460 via cif-deposit CGI script.	4080460.cif