Crystallography Open Database

Information card for entry 4131832

Preview

Coordinates	4131832.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	MFM-133(Hf)
Formula	C91 H141 Hf3 N9 O25
Calculated formula	C46 H34 Hf3 O16
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	18.8699 ± 0.0009 Å
b	18.8699 ± 0.0009 Å
c	33.0822 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	11779.7 ± 0.9 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
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	0.0841
Residual factor for significantly intense reflections	0.052
Weighted residual factors for significantly intense reflections	0.1241
Weighted residual factors for all reflections included in the refinement	0.1339
Goodness-of-fit parameter for all reflections included in the refinement	0.907
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
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.	4131832.cif