Crystallography Open Database

Information card for entry 1557237

Preview

Coordinates	1557237.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H20 N4 O5
Calculated formula	C21 H20 N4 O5
Title of publication	Versatility and adaptative behaviour of the P^N chelating ligand MeDalphos within gold(i) π complexes
Authors of publication	Navarro, Miquel; Toledo, Alberto; Mallet-Ladeira, Sonia; Sosa Carrizo, E. Daiann; Miqueu, Karinne; Bourissou, Didier
Journal of publication	Chemical Science
Year of publication	2020
Journal volume	11
Journal issue	10
Pages of publication	2750 - 2758
a	15.4212 ± 0.0012 Å
b	13.4652 ± 0.0008 Å
c	9.4134 ± 0.0007 Å
α	90°
β	102.515 ± 0.004°
γ	90°
Cell volume	1908.2 ± 0.2 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	4
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	0.143
Residual factor for significantly intense reflections	0.0611
Weighted residual factors for significantly intense reflections	0.1452
Weighted residual factors for all reflections included in the refinement	0.1833
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
257289 (current)	2020-10-06	cif/ Updating files of 1557234, 1557235, 1557236, 1557237, 1557238, 1557239 Original log message: Adding full bibliography for 1557234--1557239.cif.	1557237.cif
250214	2020-04-05	cif/ Updating files of 1557234, 1557235, 1557236, 1557237, 1557238, 1557239 Original log message: Adding full bibliography for 1557234--1557239.cif.	1557237.cif
247875	2020-02-05	cif/ Adding structures of 1557234, 1557235, 1557236, 1557237, 1557238, 1557239 via cif-deposit CGI script.	1557237.cif