Crystallography Open Database

Information card for entry 4105235

Preview

Coordinates	4105235.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H47 P Si5 Zr
Calculated formula	C22 H47 P Si5 Zr
SMILES	[Zr]123456789([P](C)(C)C)([Si@@H]([Si](C)(C)C)[Si]9([Si](C)(C)C)[Si](C)(C)C)([cH]9[cH]1[cH]2[cH]3[cH]49)[cH]1[cH]5[cH]8[cH]7[cH]61
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	11.365 ± 0.002 Å
b	15.798 ± 0.003 Å
c	17.117 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	3073.3 ± 1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.1111
Residual factor for significantly intense reflections	0.0646
Weighted residual factors for significantly intense reflections	0.1102
Weighted residual factors for all reflections included in the refinement	0.1255
Goodness-of-fit parameter for all reflections included in the refinement	0.889
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.	4105235.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4105235.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4105235.cif
30429	2011-11-12	../uploads/cif-deposit/cod/cif Adding structures of 4105235 via cif-deposit CGI script.	4105235.cif