Crystallography Open Database

Information card for entry 7244827

Preview

Coordinates	7244827.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Dinitro-(dimethyl 2,2'-bipyridine-4,4'-dicarboxylate)palladium(II)
Formula	C14 H12 N4 O8 Pd
Calculated formula	C14 H12 N4 O8 Pd
Title of publication	Exploring the influence of polymorphism and chromophore co-ligands on linkage isomer photoswitching in [Pd(bpy4dca)(NO2)2]
Authors of publication	Hatcher, Lauren E.; Coulson, Ben A.
Journal of publication	CrystEngComm
Year of publication	2022
a	8.575 ± 0.0004 Å
b	7.7508 ± 0.0003 Å
c	24.9403 ± 0.0009 Å
α	90°
β	94.906 ± 0.004°
γ	90°
Cell volume	1651.54 ± 0.12 Å³
Cell temperature	240 ± 2 K
Ambient diffraction temperature	240 ± 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	0.0676
Residual factor for significantly intense reflections	0.0401
Weighted residual factors for significantly intense reflections	0.0721
Weighted residual factors for all reflections included in the refinement	0.0833
Goodness-of-fit parameter for all reflections included in the refinement	1.017
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
274586 (current)	2022-04-20	cif/ Adding structures of 7244809, 7244810, 7244811, 7244812, 7244813, 7244814, 7244815, 7244816, 7244817, 7244818, 7244819, 7244820, 7244821, 7244822, 7244823, 7244824, 7244825, 7244826, 7244827, 7244828, 7244829, 7244830, 7244831, 7244832, 7244833, 7244834, 7244835, 7244836 via cif-deposit CGI script.	7244827.cif