Crystallography Open Database

Information card for entry 8102302

Preview

Coordinates	8102302.cif

Structure parameters

Formula	C20 H24 N4 O8 S2
Calculated formula	C20 H24 N4 O8 S2
Title of publication	Crystal structure of bis(3-aminopyridinium)1,5-naphthalene-disulfonate dihydrate, [(C5H7N2)2][C10H6O6S2] · 2H2O
Authors of publication	Zi-Liang Wang; Lin-Heng Wei
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2008
Journal volume	223
Journal issue	3
Pages of publication	281
a	12.2909 ± 0.0004 Å
b	12.6265 ± 0.0004 Å
c	14.6083 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	2267.08 ± 0.13 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0366
Residual factor for significantly intense reflections	0.0307
Weighted residual factors for significantly intense reflections	0.0857
Weighted residual factors for all reflections included in the refinement	0.0893
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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
211175 (current)	2018-09-26	cif/ Removing _chemical_name_systematic and _chemical_name_common data items with placeholder values from 513 entries in range 8.	8102302.cif
176728	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 8.	8102302.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102302.cif
13041	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102302 via cif-deposit CGI script.	8102302.cif