Crystallography Open Database

Information card for entry 4069408

Preview

Coordinates	4069408.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H48 Ge I N Si4
Calculated formula	C22 H48 Ge I N Si4
SMILES	N(C[Ge](I)(C([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(C)C)(C)c1ccccc1
Title of publication	Silylene- and Germylene-Mediated C−H Activation: Reaction with Alkanes, Ethers, and Amines
Authors of publication	Walker, Randon H.; Miller, Karla A.; Scott, Sara L.; Cygan, Zuzanna T.; Bartolin, Jeffrey M.; Kampf, Jeff W.; Banaszak Holl, Mark M.
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	9
Pages of publication	2744
a	9.5644 ± 0.0018 Å
b	10.362 ± 0.002 Å
c	16.856 ± 0.003 Å
α	102.125 ± 0.004°
β	93.528 ± 0.004°
γ	109.538 ± 0.003°
Cell volume	1523.4 ± 0.5 Å³
Cell temperature	118 ± 2 K
Ambient diffraction temperature	118 ± 2 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	0.04
Residual factor for significantly intense reflections	0.0311
Weighted residual factors for significantly intense reflections	0.0808
Weighted residual factors for all reflections included in the refinement	0.085
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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
178583 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/94.	4069408.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4069408.cif
40283	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4069407, 4069408, 4069409 via cif-deposit CGI script.	4069408.cif