Crystallography Open Database

Information card for entry 1550495

Preview

Coordinates	1550495.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H27 O P Sn
Calculated formula	C35 H27 O P Sn
SMILES	[Sn](Oc1cc(cc(p1)c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Making the Unconventional μ2-P Bridging Binding Mode More Conventional in Phosphinine Complexes
Authors of publication	Gruetzmacher, Hansjoerg; Hou, Yuanfeng; Li, Zhongshu; Li, Yaqi; Su, Cheng-Yong; Puschmann, Florian; Liu, Peng
Journal of publication	Chemical Science
Year of publication	2019
a	9.9327 ± 0.0001 Å
b	18.4467 ± 0.0003 Å
c	15.8535 ± 0.0002 Å
α	90°
β	104.801 ± 0.002°
γ	90°
Cell volume	2808.38 ± 0.07 Å³
Cell temperature	149.93 ± 0.15 K
Ambient diffraction temperature	149.93 ± 0.15 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0314
Residual factor for significantly intense reflections	0.0301
Weighted residual factors for significantly intense reflections	0.0788
Weighted residual factors for all reflections included in the refinement	0.0802
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
213240 (current)	2019-01-22	cif/ Adding structures of 1550495, 1550496, 1550497, 1550498, 1550499, 1550500, 1550501, 1550502, 1550503, 1550504 via cif-deposit CGI script.	1550495.cif