Crystallography Open Database

Information card for entry 7023250

Preview

Coordinates	7023250.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H33 N5 O7 Zn
Calculated formula	C19 H33 N5 O7 Zn
Title of publication	Eight Zn(II) coordination networks based on flexible 1,4-di(1H-imidazol-1-yl)butane and different dicarboxylates: crystal structures, water clusters, and topologies.
Authors of publication	Sun, Di; Xu, Meng-Zhen; Liu, Shan-Shan; Yuan, Shuai; Lu, Hai-Feng; Feng, Sheng-Yu; Sun, Dao-Feng
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	34
Pages of publication	12324 - 12333
a	9.1919 ± 0.0012 Å
b	11.4363 ± 0.0014 Å
c	13.0821 ± 0.0016 Å
α	66.308 ± 0.002°
β	78.744 ± 0.002°
γ	80.613 ± 0.002°
Cell volume	1229.6 ± 0.3 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	0.0561
Residual factor for significantly intense reflections	0.0424
Weighted residual factors for significantly intense reflections	0.0972
Weighted residual factors for all reflections included in the refinement	0.1048
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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
179937 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/32.	7023250.cif
90480	2013-11-17	cif/ Adding structures of 7023248, 7023249, 7023250, 7023251, 7023252, 7023253, 7023254, 7023255 via cif-deposit CGI script.	7023250.cif