Crystallography Open Database

Information card for entry 7216125

Preview

Coordinates	7216125.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	guanidinium rhodizonate
Formula	C8 H12 N6 O6
Calculated formula	C8 H12 N6 O6
SMILES	C1(=O)C(=O)C(=O)C(=O)C([O-])=C1[O-].NC(=[NH2+])N.C(=[NH2+])(N)N
Title of publication	An unexpected network in guanidinium rhodizonate
Authors of publication	Abrahams, Brendan F.; Haywood, Marissa G.; Robson, Richard
Journal of publication	CrystEngComm
Year of publication	2005
Journal volume	7
Journal issue	105
Pages of publication	629
a	3.641 ± 0.005 Å
b	9.363 ± 0.014 Å
c	17.51 ± 0.03 Å
α	90°
β	92.5 ± 0.02°
γ	90°
Cell volume	596.4 ± 1.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.2317
Residual factor for significantly intense reflections	0.0986
Weighted residual factors for significantly intense reflections	0.2223
Weighted residual factors for all reflections included in the refinement	0.2572
Goodness-of-fit parameter for all reflections included in the refinement	0.826
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
180492 (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 7/21/61.	7216125.cif
114352	2014-05-23	cif/ Adding structures of 7216125 via cif-deposit CGI script.	7216125.cif