Crystallography Open Database

Information card for entry 7216272

Preview

Coordinates	7216272.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Rhodium(II) benzoate pyrazine
Formula	C32.77 H24 N2 O9.54 Rh2
Calculated formula	C32.77 H24 N2 O9.54 Rh2
Title of publication	Structural determination of physisorbed sites for CO2 and Ar gases inside an organometallic framework
Authors of publication	Takamizawa, Satoshi; Nakata, Ei-ichi; Saito, Teruo; Kojima, Kenichi
Journal of publication	CrystEngComm
Year of publication	2003
Journal volume	5
Journal issue	72
Pages of publication	411
a	9.572 ± 0.002 Å
b	10.424 ± 0.002 Å
c	10.977 ± 0.002 Å
α	71.27 ± 0.005°
β	66.062 ± 0.004°
γ	63.155 ± 0.004°
Cell volume	880.3 ± 0.3 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1047
Residual factor for significantly intense reflections	0.0694
Weighted residual factors for significantly intense reflections	0.2009
Weighted residual factors for all reflections included in the refinement	0.2197
Goodness-of-fit parameter for all reflections included in the refinement	1.14
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
180493 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/62.	7216272.cif
115346	2014-06-03	cif/ Adding structures of 7216272, 7216273 via cif-deposit CGI script.	7216272.cif