Crystallography Open Database

Information card for entry 1543411

Preview

Coordinates	1543411.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H34 Cl2 N6 O20 Pd3 S6
Calculated formula	C47 H34 Cl2 N6 O20 Pd3 S6
Title of publication	Regioselective Intermolecular Diamination and Aminooxygenation of Alkenes with Saccharin.
Authors of publication	Martínez, Claudio; Pérez, Edwin G; Iglesias, Álvaro; Escudero-Adán, Eduardo C; Muñiz, Kilian
Journal of publication	Organic letters
Year of publication	2016
Journal volume	18
Journal issue	12
Pages of publication	2998 - 3001
a	11.6132 ± 0.0008 Å
b	11.8042 ± 0.0009 Å
c	22.2493 ± 0.0017 Å
α	86.411 ± 0.003°
β	75.439 ± 0.003°
γ	84.592 ± 0.002°
Cell volume	2936.5 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0701
Residual factor for significantly intense reflections	0.0489
Weighted residual factors for significantly intense reflections	0.1426
Weighted residual factors for all reflections included in the refinement	0.161
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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
184973 (current)	2016-08-05	cif/ Updating files of 1543410, 1543411 Original log message: Adding full bibliography for 1543410--1543411.cif.	1543411.cif
183337	2016-06-11	cif/ Adding structures of 1543411 via cif-deposit CGI script.	1543411.cif