Crystallography Open Database

Information card for entry 4502430

Preview

Coordinates	4502430.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[Zn2(L)2(BPDA)2]-2.68(H2O)
Formula	C40 H31.36 N4 O10.68 Zn2
Calculated formula	C40 H30 N4 O10.68 Zn2
Title of publication	Synthesis, Crystal Structure, and Photoluminescence of a Series of Zinc(II) Coordination Polymers with 1,4-Di(1H-imidazol-4-yl)benzene and Varied Carboxylate Ligands
Authors of publication	Chen, Shui-Sheng; Fan, Jian; Okamura, Taka-aki; Chen, Man-Sheng; Su, Zhi; Sun, Wei-Yin; Ueyama, Norikazu
Journal of publication	Crystal Growth & Design
Year of publication	2010
Journal volume	10
Journal issue	2
Pages of publication	812
a	6.889 ± 0.0019 Å
b	23.851 ± 0.007 Å
c	11.606 ± 0.004 Å
α	90°
β	96.082 ± 0.013°
γ	90°
Cell volume	1896.2 ± 1 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0556
Residual factor for significantly intense reflections	0.0414
Weighted residual factors for significantly intense reflections	0.0852
Weighted residual factors for all reflections included in the refinement	0.092
Goodness-of-fit parameter for all reflections included in the refinement	1.08
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179555 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/24.	4502430.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4502430.cif
36412	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 4502426, 4502427, 4502428, 4502429, 4502430, 4502431 via cif-deposit CGI script.	4502430.cif