Crystallography Open Database

Information card for entry 8102694

Preview

Coordinates	8102694.cif

Structure parameters

Chemical name	atena-poly[[(bis(1,3,5-tris(1-imidazolyl)benzene))zinc(II) monohydrate]bis(perchlorate)], [Zn(C~15~H~12~N~6~)~2~(H~2~O)]~n~.2(ClO~4~)
Formula	C30 H26 Cl2 N12 O9 Zn
Calculated formula	C30 H26 Cl2 N12 O9 Zn
Title of publication	Crystal structure of catena-aqua(bis(1,3,5-tris(1-imidazolyl)benzene))zinc(II) perchlorate, [Zn(C15H12N6)2(H2O)](ClO4)2
Authors of publication	Yi-Fang Deng
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2010
Journal volume	225
Journal issue	2
Pages of publication	331
a	21.2333 ± 0.0009 Å
b	21.2333 ± 0.0009 Å
c	15.1649 ± 0.0013 Å
α	90°
β	90 ± 0.001°
γ	90°
Cell volume	6837.1 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	120
Hermann-Mauguin space group symbol	I -4 c 2
Hall space group symbol	I -4 -2c
Residual factor for all reflections	0.0707
Residual factor for significantly intense reflections	0.061
Weighted residual factors for significantly intense reflections	0.144
Weighted residual factors for all reflections included in the refinement	0.1505
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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
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.	8102694.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102694.cif
13433	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102694 via cif-deposit CGI script.	8102694.cif