Crystallography Open Database

Information card for entry 4342848

Preview

Coordinates	4342848.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H32 N2 O1.75 Pd S
Calculated formula	C27 H32 N2 O1.75 Pd S
Title of publication	Palladium(II) Complex of a Redox-Active Amidophenolate-Based O,N,S,N Ligand: Its Monocation and Dication and Reactivity with PPh3.
Authors of publication	Ali, Akram; Barman, Suman K.; Mukherjee, Rabindranath
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	11
Pages of publication	5182 - 5194
a	13.003 ± 0.005 Å
b	10.137 ± 0.005 Å
c	18.385 ± 0.005 Å
α	90 ± 0.005°
β	92.427 ± 0.005°
γ	90 ± 0.005°
Cell volume	2421.2 ± 1.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.0635
Residual factor for significantly intense reflections	0.0426
Weighted residual factors for significantly intense reflections	0.0996
Weighted residual factors for all reflections included in the refinement	0.1365
Goodness-of-fit parameter for all reflections included in the refinement	0.92
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	4342848.cif
138164	2015-06-05	cif/ Updating files of 4342848, 4342849, 4342850, 4342851 Original log message: Adding full bibliography for 4342848--4342851.cif.	4342848.cif
136528	2015-05-15	cif/ Adding structures of 4342848, 4342849, 4342850, 4342851 via cif-deposit CGI script.	4342848.cif