Crystallography Open Database

Information card for entry 4075174

Preview

Coordinates	4075174.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H42 Fe Ge N2 O5
Calculated formula	C33 H42 Fe Ge N2 O5
SMILES	[Fe]([Ge]1([N](=C(C)C=C(N1c1c(cccc1C(C)C)C(C)C)C)c1c(cccc1C(C)C)C(C)C)O)(C#[O])(C#[O])(C#[O])C#[O]
Title of publication	Lewis Base Character of Hydroxygermylenes for the Preparation of Heterobimetallic LGe(OH)M Systems (M = Fe, Mn, L = HC[(CMe)(NAr)]2, Ar = 2,6-iPr2C6H3)
Authors of publication	Pineda, Leslie W.; Jancik, Vojtech; Colunga-Valladares, Juan F.; Roesky, Herbert W.; Hofmeister, Anja; Magull, Jörg
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	9
Pages of publication	2381
a	16.004 ± 0.001 Å
b	9.874 ± 0.001 Å
c	20.379 ± 0.001 Å
α	90°
β	96.42 ± 0.01°
γ	90°
Cell volume	3200.2 ± 0.4 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0501
Residual factor for significantly intense reflections	0.032
Weighted residual factors for significantly intense reflections	0.0614
Weighted residual factors for all reflections included in the refinement	0.0643
Goodness-of-fit parameter for all reflections included in the refinement	0.999
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178640 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/51.	4075174.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4075174.cif
49099	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4075174 via cif-deposit CGI script.	4075174.cif