Crystallography Open Database

Information card for entry 4114430

Preview

Coordinates	4114430.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H22 Cr O3 Sn
Calculated formula	C28 H22 Cr O3 Sn
SMILES	[Cr]12345([CH]6C([Sn](c7ccccc7)(c7ccccc7)c7ccccc7)[CH]5=[CH]4[CH]3=[CH]2[CH]1=6)(C#[O])(C#[O])C#[O]
Title of publication	"Electronic Lock" in Chromiumtricarbonyl Complex of Cycloheptatrienyltin
Authors of publication	Ilya D. Gridnev; Oleg L. Tok
Journal of publication	Journal of the American Chemical Society
Year of publication	2003
Journal volume	125
Pages of publication	14700 - 14701
a	8.9774 ± 0.0009 Å
b	9.571 ± 0.002 Å
c	15.452 ± 0.003 Å
α	94.17 ± 0.01°
β	92.33 ± 0.02°
γ	113.752 ± 0.008°
Cell volume	1208.4 ± 0.4 Å³
Cell temperature	173.2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0303
Weighted residual factors for all reflections included in the refinement	0.0734
Goodness-of-fit parameter for all reflections included in the refinement	1.123
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4114430.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4114430.cif
67751	2012-10-03	cif/ Adding structures of 4114430 via cif-deposit CGI script.	4114430.cif