Crystallography Open Database

Information card for entry 4131845

Preview

Coordinates	4131845.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C88 H72 Hf6 O32
Calculated formula	C92 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	18.932 ± 0.0012 Å
b	18.932 ± 0.0012 Å
c	33.138 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	11877.3 ± 1.3 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	0.1961
Residual factor for significantly intense reflections	0.1269
Weighted residual factors for significantly intense reflections	0.3382
Weighted residual factors for all reflections included in the refinement	0.3995
Goodness-of-fit parameter for all reflections included in the refinement	1.295
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.	4131845.cif