Crystallography Open Database

Information card for entry 4083161

Preview

Coordinates	4083161.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H36 Cl2 P2 Sn
Calculated formula	C48 H36 Cl2 P2 Sn
SMILES	C1Cc2c3c1ccc(c3c(P(c1ccccc1)c1ccccc1)cc2)[Sn](Cl)(c1ccc2CCc3c2c1c(P(c1ccccc1)c1ccccc1)cc3)Cl
Title of publication	Intramolecularly Coordinated (6-(Diphenylphosphino)acenaphth-5-yl)stannanes. Repulsion vs Attraction of P- and Sn-Containing Substituents in theperiPositions
Authors of publication	Hupf, Emanuel; Lork, Enno; Mebs, Stefan; Beckmann, Jens
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	10
Pages of publication	2409
a	13.628 ± 0.008 Å
b	16.015 ± 0.008 Å
c	17.472 ± 0.011 Å
α	90°
β	99.95 ± 0.08°
γ	90°
Cell volume	3756 ± 4 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0499
Residual factor for significantly intense reflections	0.0354
Weighted residual factors for significantly intense reflections	0.0785
Weighted residual factors for all reflections included in the refinement	0.0831
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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
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.	4083161.cif
115867	2014-06-05	cif/ Updating files of 4083156, 4083157, 4083158, 4083159, 4083160, 4083161, 4083162, 4083163 Original log message: Adding full bibliography for 4083156--4083163.cif.	4083161.cif
112948	2014-05-07	cif/ Adding structures of 4083156, 4083157, 4083158, 4083159, 4083160, 4083161, 4083162, 4083163 via cif-deposit CGI script.	4083161.cif