Crystallography Open Database

Information card for entry 4105279

Preview

Coordinates	4105279.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H30 Mo Zn12
Calculated formula	C40 H30 Mo Zn12
Title of publication	Molecular Alloys, Linking Organometallics with Intermetallic Hume-Rothery Phases: The Highly Coordinated Transition Metal Compounds [M(ZnR)n] (n >= 8) Containing Organo-Zinc Ligands
Authors of publication	Thomas Cadenbach; Timo Bollermann; Christian Gemel; Mustafa Tombul; Israel Fernandez; Moritz von Hopffgarten; Gernot Frenking; Roland A. Fischer
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	16063 - 16077
a	12.1242 ± 0.0008 Å
b	21.3988 ± 0.0011 Å
c	23.125 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	5999.6 ± 0.9 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1424
Residual factor for significantly intense reflections	0.0676
Weighted residual factors for significantly intense reflections	0.1712
Weighted residual factors for all reflections included in the refinement	0.195
Goodness-of-fit parameter for all reflections included in the refinement	0.832
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
178798 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/52.	4105279.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4105279.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4105279.cif
30474	2011-11-13	../uploads/cif-deposit/cod/cif Adding structures of 4105279 via cif-deposit CGI script.	4105279.cif