Crystallography Open Database

Information card for entry 8102705

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Coordinates	8102705.cif

Structure parameters

Chemical name	trans-tetraaqua-bis(nicotinamide) zinc(ii) 4,4'-biphenyldisulfonate
Formula	C24 H28 N4 O12 S2 Zn
Calculated formula	C24 H28 N4 O12 S2 Zn
Title of publication	Crystal structure of trans-tetraaquabis(nicotinamide)zinc(II) 4,4'-biphenyldisulfonate, [Zn(H2O)4(C6H6N2O)2][C12H8S2O6]
Authors of publication	Zhaoxun Lian; Ning Zhao; Ping Liu
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2010
Journal volume	225
Journal issue	2
Pages of publication	379
a	14.6271 ± 0.0003 Å
b	6.8558 ± 0.0001 Å
c	15.0743 ± 0.0003 Å
α	90°
β	111.185 ± 0.002°
γ	90°
Cell volume	1409.5 ± 0.05 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.0475
Residual factor for significantly intense reflections	0.0437
Weighted residual factors for significantly intense reflections	0.1194
Weighted residual factors for all reflections included in the refinement	0.1225
Goodness-of-fit parameter for all reflections included in the refinement	1.009
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176728 (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 8.	8102705.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102705.cif
13444	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102705 via cif-deposit CGI script.	8102705.cif