Crystallography Open Database

Information card for entry 4131839

Preview

Coordinates	4131839.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C88 H72 Hf6 O32
Calculated formula	C88 H68 Hf6 O32
Title of publication	Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).
Authors of publication	Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin
Journal of publication	Journal of the American Chemical Society
Year of publication	2018
Journal volume	140
Journal issue	11
Pages of publication	3952 - 3958
a	19.177 ± 0.002 Å
b	19.177 ± 0.002 Å
c	32.827 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	12072 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	128
Hermann-Mauguin space group symbol	P 4/m n c
Hall space group symbol	-P 4 2n
Residual factor for all reflections	0.3583
Residual factor for significantly intense reflections	0.2051
Weighted residual factors for significantly intense reflections	0.4583
Weighted residual factors for all reflections included in the refinement	0.5498
Goodness-of-fit parameter for all reflections included in the refinement	0.964
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.6889 Å
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
241967 (current)	2019-11-25	cif/ Adding structures of 4131832, 4131833, 4131834, 4131835, 4131836, 4131837, 4131838, 4131839, 4131840, 4131841, 4131842, 4131843, 4131844, 4131845, 4131846, 4131847 via cif-deposit CGI script.	4131839.cif