Crystallography Open Database

Information card for entry 7705778

Preview

Coordinates	7705778.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H18 As N3 O
Calculated formula	C18 H18 As N3 O
SMILES	[As](=O)(c1nc(ccc1)C)(c1nc(ccc1)C)c1nc(ccc1)C
Title of publication	Coordination chemistry of the bench-stable tris-2-pyridyl pnictogen ligands [E(6-Me-2-py)<sub>3</sub>] (E = As, As[double bond, length as m-dash]O, Sb).
Authors of publication	Plajer, Alex J.; Crusius, Daniel; Jethwa, Rajesh B.; García-Romero, Álvaro; Bond, Andrew D.; García-Rodríguez, Raúl; Wright, Dominic S.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	7
Pages of publication	2393 - 2402
a	13.4062 ± 0.0004 Å
b	8.7464 ± 0.0002 Å
c	14.48 ± 0.0005 Å
α	90°
β	94.315 ± 0.002°
γ	90°
Cell volume	1693.05 ± 0.09 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0543
Residual factor for significantly intense reflections	0.0347
Weighted residual factors for significantly intense reflections	0.0665
Weighted residual factors for all reflections included in the refinement	0.0726
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
262662 (current)	2021-03-05	cif/ Updating files of 7705770, 7705771, 7705772, 7705773, 7705774, 7705775, 7705776, 7705777, 7705778, 7705779, 7705780, 7705781, 7705782 Original log message: Adding full bibliography for 7705770--7705782.cif.	7705778.cif
259396	2020-12-01	cif/ Adding structures of 7705770, 7705771, 7705772, 7705773, 7705774, 7705775, 7705776, 7705777, 7705778, 7705779, 7705780, 7705781, 7705782 via cif-deposit CGI script.	7705778.cif