Crystallography Open Database

Information card for entry 4083182

Preview

Coordinates	4083182.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H37 P Sn
Calculated formula	C36 H37 P Sn
SMILES	[Sn](c1ccc2c3c(ccc(P(C(C)C)C(C)C)c13)CC2)(c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Sterically Restricted Tin Phosphines, Stabilized by Weak Intramolecular Donor‒Acceptor Interactions
Authors of publication	Athukorala Arachchige, Kasun S.; Sanz Camacho, Paula; Ray, Matthew J.; Chalmers, Brian A.; Knight, Fergus R.; Ashbrook, Sharon E.; Bühl, Michael; Kilian, Petr; Slawin, Alexandra M. Z.; Woollins, J. Derek
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	10
Pages of publication	2424
a	11.655 ± 0.004 Å
b	13.276 ± 0.005 Å
c	19.392 ± 0.007 Å
α	90°
β	100.548 ± 0.009°
γ	90°
Cell volume	2949.9 ± 1.8 Å³
Cell temperature	125 K
Ambient diffraction temperature	125 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.0629
Weighted residual factors for all reflections included in the refinement	0.1399
Goodness-of-fit parameter for all reflections included in the refinement	1.155
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178720 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/31.	4083182.cif
115866	2014-06-05	cif/ Updating files of 4083182, 4083183, 4083184, 4083185 Original log message: Adding full bibliography for 4083182--4083185.cif.	4083182.cif
113248	2014-05-09	cif/ Adding structures of 4083182, 4083183, 4083184, 4083185 via cif-deposit CGI script.	4083182.cif