Crystallography Open Database

Information card for entry 4348641

Preview

Structure parameters

Common name	(PPN)NO3.MeCN
Formula	C38 H33 N3 O3 P2
Calculated formula	C38 H33 N3 O3 P2
SMILES	[P+](N=P(c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.O=N(=O)[O-].C(#N)C
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	10.8535 ± 0.0008 Å
b	12.4798 ± 0.0011 Å
c	24.526 ± 0.002 Å
α	90°
β	101.867 ± 0.005°
γ	90°
Cell volume	3251 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 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	0.0804
Residual factor for significantly intense reflections	0.0489
Weighted residual factors for significantly intense reflections	0.1101
Weighted residual factors for all reflections included in the refinement	0.1241
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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
301840 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure.	4348641.cif
233211	2019-11-23	cif/ Adding structures of 4348637, 4348638, 4348639, 4348640, 4348641 via cif-deposit CGI script.	4348641.cif