Crystallography Open Database

Information card for entry 4317038

Preview

Coordinates	4317038.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H81 Ge N O1.5 P
Calculated formula	C51 H81 Ge N O1.5 P
Title of publication	The Reactivity of Phosphagermaallene Tip(t-Bu)Ge=C=PMes* with Doubly and Triply Bonded Nitrogen Compounds
Authors of publication	Dumitru Ghereg; Heinz Gornitzka; Jean Escudié; Sonia Ladeira
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	10497 - 10505
a	10.9509 ± 0.0002 Å
b	12.2987 ± 0.0002 Å
c	19.9337 ± 0.0003 Å
α	97.91 ± 0.001°
β	99.636 ± 0.001°
γ	105.745 ± 0.001°
Cell volume	2499.67 ± 0.07 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0454
Residual factor for significantly intense reflections	0.0343
Weighted residual factors for significantly intense reflections	0.0829
Weighted residual factors for all reflections included in the refinement	0.0901
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation probe	x-ray
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
179250 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/70.	4317038.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4317038.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4317038.cif
10550	2011-02-11	../uploads/cif-deposit/cod/cif Adding structures of 4317038 via cif-deposit CGI script.	4317038.cif