Crystallography Open Database

Information card for entry 4080093

Preview

Coordinates	4080093.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H72 Ge O2.5 P
Calculated formula	C44 H72 Ge O2.5 P
Title of publication	Versatile Reactivity of Phosphagermaallene Tip(t-Bu)Ge═C═PMes* with α-Ethylenic Esters
Authors of publication	Ghereg, Dumitru; Ouhsaine, Fatima; Escudié, Jean; Labat, Stéphane; André, Erwan; Miqueu, Karinne; Sotiropoulos, Jean-Marc; Gornitzka, Heinz; Saffon, Nathalie
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	4
Pages of publication	1085
a	14.8991 ± 0.0004 Å
b	18.2616 ± 0.0005 Å
c	16.6892 ± 0.0004 Å
α	90°
β	104.424 ± 0.002°
γ	90°
Cell volume	4397.7 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
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	0.0803
Residual factor for significantly intense reflections	0.0422
Weighted residual factors for significantly intense reflections	0.083
Weighted residual factors for all reflections included in the refinement	0.0967
Goodness-of-fit parameter for all reflections included in the refinement	1.005
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4080093.cif
75527	2013-03-10	cif/ Adding structures of 4080091, 4080092, 4080093 via cif-deposit CGI script.	4080093.cif