Crystallography Open Database

Information card for entry 7244841

Preview

Coordinates	7244841.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
SMILES	[Pd]1([n]2c(c3[n]1ccc(C(=O)OC)c3)cc(cc2)C(=O)OC)(N(=O)=O)N(=O)=O
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	8.4976 ± 0.0009 Å
b	13.812 ± 0.002 Å
c	15.5449 ± 0.0019 Å
α	63.761 ± 0.014°
β	82.994 ± 0.009°
γ	78.512 ± 0.011°
Cell volume	1602.5 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1301
Residual factor for significantly intense reflections	0.0764
Weighted residual factors for significantly intense reflections	0.2032
Weighted residual factors for all reflections included in the refinement	0.2454
Goodness-of-fit parameter for all reflections included in the refinement	0.956
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
274587 (current)	2022-04-20	cif/ Adding structures of 7244837, 7244838, 7244839, 7244840, 7244841 via cif-deposit CGI script.	7244841.cif