Crystallography Open Database

Information card for entry 4105234

Preview

Coordinates	4105234.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H61 P Si6 Zr
Calculated formula	C31 H61 P Si6 Zr
SMILES	[Zr]123456789([P](C)(C)C)([Si]([Si]9([Si](C)(C)C)[Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)([cH]9[cH]4[cH]3[cH]2[cH]19)[cH]1[cH]5[cH]6[cH]7[cH]81.c1ccccc1
Title of publication	Group 4 Metallocene Complexes of Disilenes, Digermenes, and a Silagermene
Authors of publication	Michaela Zirngast; Michaela Flock; Judith Baumgartner; Christoph Marschner
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	15952 - 15962
a	16.861 ± 0.003 Å
b	10.925 ± 0.002 Å
c	23.401 ± 0.005 Å
α	90°
β	110.76 ± 0.03°
γ	90°
Cell volume	4030.7 ± 1.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
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	0.0787
Residual factor for significantly intense reflections	0.0634
Weighted residual factors for significantly intense reflections	0.2189
Weighted residual factors for all reflections included in the refinement	0.2438
Goodness-of-fit parameter for all reflections included in the refinement	0.994
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
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.	4105234.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4105234.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4105234.cif
30428	2011-11-12	../uploads/cif-deposit/cod/cif Adding structures of 4105234 via cif-deposit CGI script.	4105234.cif