Crystallography Open Database

Information card for entry 8103133

Preview

Coordinates	8103133.cif

Structure parameters

Formula	C32 H42.67 N5.33 O17.33 S1.33 Zn2
Calculated formula	C32 H42.6667 N5.33333 O17.3333 S1.33333 Zn2
Title of publication	Crystal structure of hexaaquatris(4,4'-bipyridine)bis{N-[(4-carboxyphenyl)sulfonyl]glycine}trizinc(II) octahydrate, Zn3(H2O)6(C10H8N2)3(C9H6SNO6)2 · 8H2O
Authors of publication	Yong-Wei Wang
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2011
Journal volume	226
Journal issue	3
Pages of publication	368
a	24.962 ± 0.0019 Å
b	15.0444 ± 0.0012 Å
c	17.3417 ± 0.0013 Å
α	90°
β	117.1 ± 0.001°
γ	90°
Cell volume	5797.5 ± 0.8 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0416
Residual factor for significantly intense reflections	0.032
Weighted residual factors for significantly intense reflections	0.0843
Weighted residual factors for all reflections included in the refinement	0.0909
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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.	8103133.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.	8103133.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8103133.cif
29095	2011-11-02	../uploads/cif-deposit/cod/cif Adding structures of 8103133 via cif-deposit CGI script.	8103133.cif