Crystallography Open Database

Information card for entry 4086221

Preview

Coordinates	4086221.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H38 Ge N2 O S Si
Calculated formula	C33 H38 Ge N2 O S Si
SMILES	[Ge]1(=S)(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	17.161 ± 0.003 Å
b	11.2322 ± 0.0017 Å
c	17.682 ± 0.003 Å
α	90°
β	108.607 ± 0.003°
γ	90°
Cell volume	3230.2 ± 0.9 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	0.0505
Residual factor for significantly intense reflections	0.0408
Weighted residual factors for significantly intense reflections	0.1152
Weighted residual factors for all reflections included in the refinement	0.1209
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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.	4086221.cif
154498	2015-09-05	cif/ Adding structures of 4086217, 4086218, 4086219, 4086220, 4086221, 4086222 via cif-deposit CGI script.	4086221.cif