Crystallography Open Database

Information card for entry 7029481

Preview

Coordinates	7029481.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H48 Ge N2 O2
Calculated formula	C38 H48 Ge N2 O2
Title of publication	Mechanistic studies of CO2 reduction to methanol mediated by an N-heterocyclic germylene hydride.
Authors of publication	Tan, Gengwen; Wang, Wenyuan; Blom, Burgert; Driess, Matthias
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	16
Pages of publication	6006 - 6011
a	11.877 ± 0.0011 Å
b	18.408 ± 0.0017 Å
c	16.0265 ± 0.0015 Å
α	90°
β	105.434 ± 0.009°
γ	90°
Cell volume	3377.5 ± 0.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.057
Residual factor for significantly intense reflections	0.0418
Weighted residual factors for significantly intense reflections	0.0909
Weighted residual factors for all reflections included in the refinement	0.0969
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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
180000 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/94.	7029481.cif
108319	2014-03-30	cif/ Adding structures of 7029480, 7029481, 7029482, 7029483 via cif-deposit CGI script.	7029481.cif