Crystallography Open Database

Information card for entry 8106784

Preview

Coordinates	8106784.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	catena-(μ~3~-3,4,5,6-tetrachlorophthalato)- (μ~2~-3,4,5,6-tetrachlorophthalato)-di-(μ~2~-aqua)- tetraaqua-potassium–neodymium(iii) 4,4'-bipyridine solvate
Formula	C26 H19 Cl8 K N2 Nd O13.5
Calculated formula	C26 H18 Cl8 K N2 Nd O13.5
Title of publication	Crystal structure of a poly[bis(3,4,5,6-tetrachlorophthalato)neodym(III)potassium(I)] — 4,4′-bipyridine — water (1/1/5.5)
Authors of publication	Zhang, Fan; Qu, Ya-Jie; Wu, Wen-Hua; Deng, Yu-Heng
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2016
Journal volume	231
Journal issue	1
Pages of publication	57 - 59
a	8.6114 ± 0.0017 Å
b	12.665 ± 0.003 Å
c	16.997 ± 0.003 Å
α	96.53 ± 0.03°
β	103.28 ± 0.03°
γ	97.89 ± 0.03°
Cell volume	1766.7 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0277
Residual factor for significantly intense reflections	0.0254
Weighted residual factors for significantly intense reflections	0.0749
Weighted residual factors for all reflections included in the refinement	0.0838
Goodness-of-fit parameter for all reflections included in the refinement	1.008
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoK~α~
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
281187 (current)	2023-03-01	cif/ Adding structures of 8106784 via cif-deposit CGI script.	8106784.cif