Crystallography Open Database

Information card for entry 7216889

Preview

Coordinates	7216889.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Diphenyl[5-(2'-{6'-diphenylphosphino}pyridyl)-2-thienyl]phosphine
Formula	C33 H25 N P2 S
Calculated formula	C33 H25 N P2 S
SMILES	P(c1sc(cc1)c1nc(P(c2ccccc2)c2ccccc2)ccc1)(c1ccccc1)c1ccccc1
Title of publication	Novel diphenylphosphine derivatives of 2,2′-bithiophene, 2,2′:5′,2″-terthiophene, 2-(2′-thienyl)pyridine and 2,6-di-2′-thienylpyridine. Crystal structures of 5,5′-bis(diphenylphosphino)-2,2′-bithiophene, diphenyl{5-[6′-(diphenylphosphino)-2′-pyridyl]-2-thienyl}phosphine and 2,6-bis[5′-(diphenylphosphino)-2′-thienyl]pyridine
Journal of publication	Journal of the Chemical Society, Perkin Transactions 1
Year of publication	2001
Journal issue	24
Pages of publication	3352
a	8.408 ± 0.005 Å
b	15.978 ± 0.006 Å
c	20.402 ± 0.007 Å
α	90°
β	101.11 ± 0.04°
γ	90°
Cell volume	2689 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.1271
Residual factor for significantly intense reflections	0.0517
Weighted residual factors for significantly intense reflections	0.0831
Weighted residual factors for all reflections included in the refinement	0.1246
Goodness-of-fit parameter for all reflections included in the refinement	1.187
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180499 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/68.	7216889.cif
118544	2014-06-30	cif/ Adding structures of 7216887, 7216888, 7216889 via cif-deposit CGI script.	7216889.cif