Crystallography Open Database

Information card for entry 4086220

Preview

Coordinates	4086220.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H38 Fe Ge N2 O5 Si
Calculated formula	C37 H38 Fe Ge N2 O5 Si
SMILES	[Ge]1([Fe](C#[O])(C#[O])(C#[O])C#[O])(O[Si](c2ccccc2)(c2ccccc2)c2ccccc2)N(C2=CC=CC=CC2=[N]1CC(C)C)CC(C)C
Title of publication	Aminotroponiminatosilathio- and Siloxygermylenes: Reactivity Comparison
Authors of publication	Karwasara, Surendar; Siwatch, Rahul Kumar; Jha, Chandan Kumar; Nagendran, Selvarajan
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	13
Pages of publication	3246
a	13.2574 ± 0.0018 Å
b	14.068 ± 0.002 Å
c	19.434 ± 0.003 Å
α	90.059 ± 0.002°
β	90.08 ± 0.002°
γ	99.031 ± 0.002°
Cell volume	3579.6 ± 0.9 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0385
Residual factor for significantly intense reflections	0.0325
Weighted residual factors for significantly intense reflections	0.0827
Weighted residual factors for all reflections included in the refinement	0.0854
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
154498 (current)	2015-09-05	cif/ Adding structures of 4086217, 4086218, 4086219, 4086220, 4086221, 4086222 via cif-deposit CGI script.	4086220.cif