Crystallography Open Database

Information card for entry 4073389

Preview

Coordinates	4073389.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51.5 H48 Sn V4
Calculated formula	C49.75 H44 Sn V4
Title of publication	Tetrakis([5]trovacenyl)tin: Synthesis, Structure, and Intramolecular Communication†
Authors of publication	Elschenbroich, Christoph; Lu, Feng; Nowotny, Mathias; Burghaus, Olaf; Pietzonka, Clemens; Harms, Klaus
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Journal issue	16
Pages of publication	4025
a	13.7723 ± 0.0006 Å
b	16.9996 ± 0.0007 Å
c	18.7871 ± 0.0008 Å
α	83.322 ± 0.003°
β	69.348 ± 0.003°
γ	78.093 ± 0.003°
Cell volume	4022.7 ± 0.3 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0395
Residual factor for significantly intense reflections	0.0268
Weighted residual factors for significantly intense reflections	0.0629
Weighted residual factors for all reflections included in the refinement	0.0657
Goodness-of-fit parameter for all reflections included in the refinement	0.975
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
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.	4073389.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4073389.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4073389.cif
46316	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4073389, 4073390 via cif-deposit CGI script.	4073389.cif