Crystallography Open Database

Information card for entry 7244832

Preview

Coordinates	7244832.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	8.5861 ± 0.0004 Å
b	7.7599 ± 0.0003 Å
c	24.9514 ± 0.0009 Å
α	90°
β	94.697 ± 0.004°
γ	90°
Cell volume	1656.86 ± 0.12 Å³
Cell temperature	254 ± 2 K
Ambient diffraction temperature	254 ± 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	0.0769
Residual factor for significantly intense reflections	0.0448
Weighted residual factors for significantly intense reflections	0.0739
Weighted residual factors for all reflections included in the refinement	0.0868
Goodness-of-fit parameter for all reflections included in the refinement	0.985
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.	7244832.cif