Crystallography Open Database

Information card for entry 7220736

7220735 << 7220736 >> 7220737

Preview

Coordinates	7220736.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	C2H4@DUT-8(Ni)
Formula	C54 H72 N2 Ni2 O8
Calculated formula	C54 H72 N2 Ni2 O8
Title of publication	Exceptional adsorption-induced cluster and network deformation in the flexible metal-organic framework DUT-8(Ni) observed by in situ X-ray diffraction and EXAFS.
Authors of publication	Bon, Volodymyr; Klein, Nicole; Senkovska, Irena; Heerwig, Andreas; Getzschmann, Jürgen; Wallacher, Dirk; Zizak, Ivo; Brzhezinskaya, Maria; Mueller, Uwe; Kaskel, Stefan
Journal of publication	Physical chemistry chemical physics : PCCP
Year of publication	2015
Journal volume	17
Journal issue	26
Pages of publication	17471 - 17479
a	20.446 Å
b	16.4661 Å
c	9.3532 Å
α	90°
β	94.0138°
γ	90°
Cell volume	3141.18 Å³
Ambient diffraction temperature	169 K
Number of distinct elements	5
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Method of determination	powder diffraction
Diffraction radiation wavelength	1.5406 Å
Diffraction radiation type	Synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	7220736.cif
143764	2015-07-11	cif/ Updating files of 7220735, 7220736, 7220737 Original log message: Adding full bibliography for 7220735--7220737.cif.	7220736.cif
139032	2015-06-10	cif/ Adding structures of 7220735, 7220736, 7220737 via cif-deposit CGI script.	7220736.cif