Crystallography Open Database

Information card for entry 7217878

Preview

Coordinates	7217878.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H37 Cl4 N10 O1.5 Pd2
Calculated formula	C28 H34 Cl4 N10 O1.5 Pd2
Title of publication	Unsubstituted Quinoidal Pyrrole and its Reaction with Oxygen, Charge Transfer and Palladium(II) Complexes via DDQ Oxidation
Authors of publication	Mani, Ganesan; Ghorai, Debasish
Journal of publication	RSC Adv.
Year of publication	2014
a	13.058 ± 0.003 Å
b	15.125 ± 0.003 Å
c	20.479 ± 0.004 Å
α	90°
β	106.625 ± 0.007°
γ	90°
Cell volume	3875.6 ± 1.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.2083
Residual factor for significantly intense reflections	0.0924
Weighted residual factors for significantly intense reflections	0.2214
Weighted residual factors for all reflections included in the refinement	0.2836
Goodness-of-fit parameter for all reflections included in the refinement	1.002
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7217878.cif
122711	2014-09-02	cif/ Adding structures of 7217873, 7217874, 7217875, 7217876, 7217877, 7217878 via cif-deposit CGI script.	7217878.cif