Crystallography Open Database

Information card for entry 4341123

Preview

Coordinates	4341123.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H56 Ni2 Zn8
Calculated formula	C33 H56 Ni2 Zn8
Title of publication	Hume-Rothery Phase-Inspired Metal-Rich Molecules: Cluster Expansion of [Ni(ZnMe)6(ZnCp)2] by Face Capping with Ni(0)(η(6)-toluene) and Ni(I)(η(5)-Cp).
Authors of publication	Molon, Mariusz; Gemel, Christian; Jerabek, Paul; Trombach, Lukas; Frenking, Gernot; Fischer, Roland A.
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	19
Pages of publication	10403 - 10411
a	11.5255 ± 0.0006 Å
b	15.5222 ± 0.0007 Å
c	12.2666 ± 0.0006 Å
α	90°
β	116.007 ± 0.006°
γ	90°
Cell volume	1972.29 ± 0.19 Å³
Cell temperature	105 ± 2 K
Ambient diffraction temperature	105 ± 2 K
Number of distinct elements	4
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0925
Residual factor for significantly intense reflections	0.054
Weighted residual factors for significantly intense reflections	0.0987
Weighted residual factors for all reflections included in the refinement	0.1123
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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
179514 (current)	2016-03-23	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/11.	4341123.cif
126979	2014-11-12	cif/ Updating files of 4341122, 4341123 Original log message: Adding full bibliography for 4341122--4341123.cif.	4341123.cif
124107	2014-09-23	cif/ Adding structures of 4341122, 4341123 via cif-deposit CGI script.	4341123.cif