Crystallography Open Database

Information card for entry 1520666

1520665 << 1520666 >> 1520667

Preview

Coordinates	1520666.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C80 H162 Ge2 Si14
Calculated formula	C80 H162 Ge2 Si14
Title of publication	Reaction of a diaryldigermyne with ethylene
Authors of publication	Sasamori, Takahiro; Sugahara, Tomohiro; Agou, Tomohiro; Sugamata, Koh; Guo, Jing-Dong; Nagase, Shigeru; Tokitoh, Norihiro
Journal of publication	Chem. Sci.
Year of publication	2015
Journal volume	6
Journal issue	10
Pages of publication	5526
a	12.7486 ± 0.0002 Å
b	20.8969 ± 0.0004 Å
c	18.9393 ± 0.0003 Å
α	90°
β	103.248 ± 0.0007°
γ	90°
Cell volume	4911.28 ± 0.15 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for all reflections	0.0495
Residual factor for significantly intense reflections	0.0377
Weighted residual factors for significantly intense reflections	0.0902
Weighted residual factors for all reflections included in the refinement	0.0977
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	1520666.cif
170933	2015-12-09	cif/ Updating files of 1520665, 1520666, 1520667 Original log message: Adding full bibliography for 1520665--1520667.cif.	1520666.cif
139615	2015-06-25	cif/ Adding structures of 1520665, 1520666, 1520667 via cif-deposit CGI script.	1520666.cif