Crystallography Open Database

Information card for entry 4315920

Preview

Coordinates	4315920.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H46 Fe2 Ge2 N4 O8
Calculated formula	C38 H46 Fe2 Ge2 N4 O8
SMILES	C1(c2ccccc2)=[N](C(C)(C)C)[Ge](N1C(C)(C)C)([Fe](C#[O])(C#[O])(C#[O])C#[O])[Ge]1([N](=C(c2ccccc2)N1C(C)(C)C)C(C)(C)C)[Fe](C#[O])(C#[O])(C#[O])C#[O]
Title of publication	Reactivity Studies of a GeI-GeI Compound with and without Cleavage of the Ge-Ge Bond
Authors of publication	Sakya S. Sen; Daniel Kratzert; Daniel Stern; Herbert W. Roesky; Dietmar Stalke
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	5786 - 5788
a	21.491 ± 0.002 Å
b	10.4204 ± 0.001 Å
c	18.889 ± 0.0018 Å
α	90°
β	105.965 ± 0.001°
γ	90°
Cell volume	4066.9 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0268
Residual factor for significantly intense reflections	0.0249
Weighted residual factors for significantly intense reflections	0.0629
Weighted residual factors for all reflections included in the refinement	0.0638
Goodness-of-fit parameter for all reflections included in the refinement	1.065
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4315920.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4315920.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4315920.cif
9087	2011-02-09	../uploads/cif-deposit/cod/cif Adding structures of 4315920 via cif-deposit CGI script.	4315920.cif