Crystallography Open Database

Information card for entry 1505057

Preview

Coordinates	1505057.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H24 Cu2 Kr1.72 N2 O8
Calculated formula	C32 H24 Cu2 Kr1.72 N2 O8
Title of publication	Local Structure and Xenon Adsorption Behavior of Metal-Organic Framework System [M2(O2CPh)4(pyz)]n (M = Rh and Cu) As Studied with Use of Single-Crystal X-ray Diffraction, Adsorption Isotherm, and Xenon-129 NMR
Authors of publication	Ueda, T.; Kurokawa, K.; Eguchi, T.; Kachi-Terajima, C.; Takamizawa, S.
Journal of publication	Journal of Physical Chemistry C
Year of publication	2007
Journal volume	111
Journal issue	3
Pages of publication	1524
a	18.631 ± 0.003 Å
b	9.7039 ± 0.0013 Å
c	19.276 ± 0.003 Å
α	90°
β	99.002 ± 0.003°
γ	90°
Cell volume	3442 ± 0.9 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1696
Residual factor for significantly intense reflections	0.0658
Weighted residual factors for significantly intense reflections	0.142
Weighted residual factors for all reflections included in the refinement	0.1805
Goodness-of-fit parameter for all reflections included in the refinement	0.97
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1505057.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1505057.cif
45311	2012-03-20	../uploads/cif-deposit/cod/cif Adding structures of 1505056, 1505057, 1505058 via cif-deposit CGI script.	1505057.cif