Crystallography Open Database

Information card for entry 1505054

Preview

Coordinates	1505054.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H24 Kr1.51 N2 O8 Rh2
Calculated formula	C32 H24 Kr1.51 N2 O8 Rh2
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	9.587 ± 0.002 Å
b	10.364 ± 0.002 Å
c	10.822 ± 0.002 Å
α	71.867 ± 0.005°
β	65.518 ± 0.005°
γ	63.237 ± 0.005°
Cell volume	863.4 ± 0.3 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1787
Residual factor for significantly intense reflections	0.084
Weighted residual factors for significantly intense reflections	0.1705
Weighted residual factors for all reflections included in the refinement	0.2334
Goodness-of-fit parameter for all reflections included in the refinement	0.942
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.	1505054.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1505054.cif
45310	2012-03-20	../uploads/cif-deposit/cod/cif Adding structures of 1505053, 1505054, 1505055 via cif-deposit CGI script.	1505054.cif