Crystallography Open Database

Information card for entry 4069407

Preview

Coordinates	4069407.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H32 I N3 Si
Calculated formula	C16 H32 I N3 Si
SMILES	[Si]1(I)(N(C(C)(C)C)C=CN1C(C)(C)C)C1N(CCCC1)C
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	9.4165 ± 0.0004 Å
b	9.5587 ± 0.0004 Å
c	12.2601 ± 0.0005 Å
α	96.403 ± 0.001°
β	95.239 ± 0.001°
γ	118.01 ± 0.001°
Cell volume	955.12 ± 0.07 Å³
Cell temperature	85 ± 2 K
Ambient diffraction temperature	85 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0198
Residual factor for significantly intense reflections	0.0193
Weighted residual factors for significantly intense reflections	0.0491
Weighted residual factors for all reflections included in the refinement	0.0494
Goodness-of-fit parameter for all reflections included in the refinement	1.076
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.	4069407.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4069407.cif
40283	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4069407, 4069408, 4069409 via cif-deposit CGI script.	4069407.cif