Crystallography Open Database

Information card for entry 4329720

Preview

Coordinates	4329720.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H78 Cl2 N2 P2 Sn
Calculated formula	C49 H78 Cl2 N2 P2 Sn
SMILES	[Sn](=C1N(C(=C(N1C(C)C)C)C)C(C)C)(C(=Pc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)Cl)C(=Pc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)Cl
Title of publication	Chalcogeno[bis(phosphaalkenyl)] Germanium and Tin Compounds
Authors of publication	Tibor-Gabor Kocsor; Dimitri Matioszek; Gabriela Nemeş; Annie Castel; Jean Escudié; Petronela M. Petrar; Nathalie Saffon; Ionel Haiduc
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	7782 - 7787
a	12.8737 ± 0.0002 Å
b	15.0045 ± 0.0003 Å
c	16.0067 ± 0.0003 Å
α	66.491 ± 0.001°
β	69.492 ± 0.001°
γ	73.13 ± 0.001°
Cell volume	2614.52 ± 0.09 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0534
Residual factor for significantly intense reflections	0.036
Weighted residual factors for significantly intense reflections	0.0813
Weighted residual factors for all reflections included in the refinement	0.0899
Goodness-of-fit parameter for all reflections included in the refinement	1.007
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
179400 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/97.	4329720.cif
78957	2013-04-03	cif/ Adding structures of 4329720 via cif-deposit CGI script.	4329720.cif