Crystallography Open Database

Information card for entry 8103168

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Coordinates	8103168.cif

Structure parameters

Formula	C26 H28 N2 O18 S2
Calculated formula	C26 H28 N2 O18 S2
Title of publication	Crystal structure of 1,1'-dihydro-[4,4'-bipyridine]-1,1'-diium-bis(2-sulfonatoterephthalic acid) — water (1:4), (C10H10N2)(C8H5O7S)2 · 4H2O
Authors of publication	Xin-Xiang Lei; An-Jiang Zhang
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2011
Journal volume	226
Journal issue	3
Pages of publication	317
a	8.4687 ± 0.0005 Å
b	9.467 ± 0.0005 Å
c	10.4823 ± 0.0006 Å
α	73.007 ± 0.001°
β	71.567 ± 0.001°
γ	89.582 ± 0.001°
Cell volume	759.11 ± 0.07 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 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	0.0378
Residual factor for significantly intense reflections	0.0353
Weighted residual factors for significantly intense reflections	0.1045
Weighted residual factors for all reflections included in the refinement	0.1099
Goodness-of-fit parameter for all reflections included in the refinement	1.113
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.	8103168.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.	8103168.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8103168.cif
29165	2011-11-02	../uploads/cif-deposit/cod/cif Adding structures of 8103168 via cif-deposit CGI script.	8103168.cif