Crystallography Open Database

Information card for entry 4103246

Preview

Coordinates	4103246.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H108 Cl2 N2 Si12 Zn
Calculated formula	C47 H108 Cl2 N2 Si12 Zn
SMILES	C([Si](C([Si](C)(C)C)[Si](C)(C)C)(C(C)C)[Si](=C1N(C(=C(C)N1C)C)C)[Si]([Si](C([Si](C)(C)C)[Si](C)(C)C)(C([Si](C)(C)C)[Si](C)(C)C)C(C)C)=[Zn](Cl)Cl)([Si](C)(C)C)[Si](C)(C)C.c1ccccc1
Title of publication	An N-Heterocyclic Carbene-Disilyne Complex and Its Reactivity toward ZnCl2
Authors of publication	Torahiko Yamaguchi; Akira Sekiguchi; Matthias Driess
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	14061 - 14063
a	10.3809 ± 0.0012 Å
b	16.1779 ± 0.0019 Å
c	21.481 ± 0.003 Å
α	93.502 ± 0.002°
β	90.604 ± 0.002°
γ	107.516 ± 0.002°
Cell volume	3432.3 ± 0.7 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.077
Residual factor for significantly intense reflections	0.0479
Weighted residual factors for significantly intense reflections	0.1137
Weighted residual factors for all reflections included in the refinement	0.127
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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
178778 (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 4/10/32.	4103246.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4103246.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4103246.cif
26205	2011-09-19	../uploads/cif-deposit/cod/cif Adding structures of 4103246 via cif-deposit CGI script.	4103246.cif