Crystallography Open Database

Information card for entry 4106943

Preview

Coordinates	4106943.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H87 Ge N7 O P2 Si
Calculated formula	C46 H87 Ge N7 O P2 Si
Title of publication	Synthesis and Reactivity of a Phosphine-Stabilized Monogermanium Analogue of Alkynes
Authors of publication	Juliette Berthe; Juan Manuel Garcia; Edgar Ocando; Tsuyoshi Kato; Nathalie Saffon-Merceron; Abel De Cózar; Fernando P. Cossío; Antoine Baceiredo
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	15930 - 15933
a	10.4194 ± 0.0003 Å
b	13.8223 ± 0.0006 Å
c	20.0405 ± 0.0005 Å
α	76.492 ± 0.001°
β	75.028 ± 0.001°
γ	82.15 ± 0.002°
Cell volume	2702.18 ± 0.16 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0439
Residual factor for significantly intense reflections	0.0361
Weighted residual factors for significantly intense reflections	0.0963
Weighted residual factors for all reflections included in the refinement	0.1013
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178815 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/69.	4106943.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4106943.cif
54457	2012-04-26	cif/ Adding structures of 4106943 via cif-deposit CGI script.	4106943.cif