Crystallography Open Database

Information card for entry 8103163

Preview

Coordinates	8103163.cif

Structure parameters

Chemical name	bis[(N,N'-butylenebis(imidazole))(5-aminoisophthato)zinc(II)]
Formula	C36 H38 N10 O8 Zn2
Calculated formula	C36 H32 N10 O8 Zn2
Title of publication	Crystal structure of (N,N'-butylenebis(imidazole))-(5-aminoisophthalato)zinc(II), Zn(C8H5NO4)(C10H14N4)
Authors of publication	Wei-Qiu Kan; Jian-Fang Ma
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2011
Journal volume	226
Journal issue	3
Pages of publication	394
a	9.4782 ± 0.0002 Å
b	13.8067 ± 0.0004 Å
c	14.8094 ± 0.0005 Å
α	90.635 ± 0.002°
β	93.462 ± 0.002°
γ	93.506 ± 0.002°
Cell volume	1930.63 ± 0.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.1101
Residual factor for significantly intense reflections	0.0663
Weighted residual factors for significantly intense reflections	0.1198
Weighted residual factors for all reflections included in the refinement	0.1371
Goodness-of-fit parameter for all reflections included in the refinement	1.131
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.	8103163.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8103163.cif
29155	2011-11-02	../uploads/cif-deposit/cod/cif Adding structures of 8103163 via cif-deposit CGI script.	8103163.cif