Crystallography Open Database

Information card for entry 4086218

Preview

Coordinates	4086218.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H76 Ge2 N4 O4 Si2
Calculated formula	C66 H76 Ge2 N4 O4 Si2
SMILES	C12=CC=CC=CC1=[N](CC(C)C)[Ge]1(N2CC(C)C)(O[Ge]2([N](=C3C=CC=CC=C3N2CC(C)C)CC(C)C)(O1)O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)O[Si](c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Aminotroponiminatosilathio- and Siloxygermylenes: Reactivity Comparison
Authors of publication	Karwasara, Surendar; Siwatch, Rahul Kumar; Jha, Chandan Kumar; Nagendran, Selvarajan
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	13
Pages of publication	3246
a	11.603 ± 0.003 Å
b	12.094 ± 0.004 Å
c	12.526 ± 0.004 Å
α	112.293 ± 0.006°
β	102.656 ± 0.007°
γ	101.348 ± 0.007°
Cell volume	1508.7 ± 0.8 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 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	0.0966
Residual factor for significantly intense reflections	0.0584
Weighted residual factors for significantly intense reflections	0.1237
Weighted residual factors for all reflections included in the refinement	0.1355
Goodness-of-fit parameter for all reflections included in the refinement	0.986
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
154498 (current)	2015-09-05	cif/ Adding structures of 4086217, 4086218, 4086219, 4086220, 4086221, 4086222 via cif-deposit CGI script.	4086218.cif