Crystallography Open Database

Information card for entry 4338557

Preview

Coordinates	4338557.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H32 Fe N2 O5 Si
Calculated formula	C23 H32 Fe N2 O5 Si
SMILES	[Fe]([Si]1([N](=C(N1C(C)(C)C)c1ccccc1)C(C)(C)C)OC(C)(C)C)(C#[O])(C#[O])(C#[O])C#[O]
Title of publication	A Base-Stabilized Silylene with a Tricoordinate Silicon Atom as a Ligand for a Metal Complex
Authors of publication	Yang, Wei; Fu, Hao; Wang, Haijun; Chen, Mingqing; Ding, Yuqiang; Roesky, Herbert W.; Jana, Anukul
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Journal issue	12
Pages of publication	5058 - 5060
a	9.1551 ± 0.0007 Å
b	16.6045 ± 0.0014 Å
c	17.2613 ± 0.0015 Å
α	90°
β	91.71 ± 0.002°
γ	90°
Cell volume	2622.8 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.1115
Residual factor for significantly intense reflections	0.0507
Weighted residual factors for significantly intense reflections	0.1096
Weighted residual factors for all reflections included in the refinement	0.1317
Goodness-of-fit parameter for all reflections included in the refinement	1
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
210076 (current)	2018-08-23	cif/4/ Updating bibliography in entries 4302323, 4338557. Marking entry 4302323 as a duplicate of entry 4338557.	4338557.cif
179488	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/85.	4338557.cif
114748	2014-05-29	cif/ Adding structures of 4338557 via cif-deposit CGI script.	4338557.cif