Crystallography Open Database

Information card for entry 4349456

Preview

Coordinates	4349456.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H15 N3 O9 Zn
Calculated formula	C18 H11 N3 O9 Zn
Title of publication	Novel photo- and/or thermochromic MOFs derived from bipyridinium carboxylate ligands
Authors of publication	Zhang, Chenghui; Sun, Libo; Zhang, Chuanqi; Wan, Song; Liang, Zhiqiang; Li, Jiyang
Journal of publication	Inorganic Chemistry Frontiers
Year of publication	2016
Journal volume	3
Journal issue	6
Pages of publication	814
a	27.841 ± 0.006 Å
b	7.5266 ± 0.0015 Å
c	17.413 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	3648.9 ± 1.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.081
Residual factor for significantly intense reflections	0.0577
Weighted residual factors for significantly intense reflections	0.147
Weighted residual factors for all reflections included in the refinement	0.1598
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4349456.html