Crystallography Open Database

Information card for entry 4348639

Preview

Coordinates	4348639.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(PPN)2Sn(NO3)6.2MeCN
Formula	C76 H66 N10 O18 P4 Sn
Calculated formula	C76 H66 N10 O18 P4 Sn
SMILES	c1(ccccc1)P(c1ccccc1)(=N[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1.N(O[Sn](ON(=O)=O)(ON(=O)=O)(ON(=O)=O)(ON(=O)=O)ON(=O)=O)(=O)=O.N#CC.c1(ccccc1)P(c1ccccc1)(=N[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1.N#CC
Title of publication	Homoleptic Poly(nitrato) Complexes of Group 14 Stable at Ambient Conditions.
Authors of publication	Portius, Peter; Peerless, Benjamin; Davis, Martin; Campbell, Rory
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	17
Pages of publication	8976 - 8984
a	12.385 ± 0.005 Å
b	12.436 ± 0.005 Å
c	16.224 ± 0.005 Å
α	108.124 ± 0.005°
β	109.863 ± 0.005°
γ	111.947 ± 0.005°
Cell volume	1885.1 ± 1.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.038
Residual factor for significantly intense reflections	0.0318
Weighted residual factors for significantly intense reflections	0.0761
Weighted residual factors for all reflections included in the refinement	0.08
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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
233211 (current)	2019-11-23	cif/ Adding structures of 4348637, 4348638, 4348639, 4348640, 4348641 via cif-deposit CGI script.	4348639.cif