Crystallography Open Database

Information card for entry 4086222

Preview

Coordinates	4086222.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H38 Ge N2 O Se Si
Calculated formula	C33 H38 Ge N2 O Se Si
SMILES	[Se]=[Ge]1(O[Si](c2ccccc2)(c2ccccc2)c2ccccc2)[N](=C2C=CC=CC=C2N1CC(C)C)CC(C)C
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	17.356 ± 0.004 Å
b	11.233 ± 0.002 Å
c	17.696 ± 0.004 Å
α	90°
β	108.17 ± 0.03°
γ	90°
Cell volume	3278 ± 1.3 Å³
Cell temperature	300 ± 2 K
Ambient diffraction temperature	300 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.051
Residual factor for significantly intense reflections	0.0355
Weighted residual factors for significantly intense reflections	0.0856
Weighted residual factors for all reflections included in the refinement	0.0918
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	4086222.cif
154498	2015-09-05	cif/ Adding structures of 4086217, 4086218, 4086219, 4086220, 4086221, 4086222 via cif-deposit CGI script.	4086222.cif