Crystallography Open Database

Information card for entry 4508443

Preview

Coordinates	4508443.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H14 N2 O5 Zn
Calculated formula	C16 H14 N2 O5 Zn
Title of publication	Zn-MOFs Containing Flexible α,ω-Alkane (or Alkene)-Dicarboxylates and 1,2-Bis(4-pyridyl)ethane Ligands: CO2Sorption and Photoluminescence
Authors of publication	Hwang, In Hong; Kim, Ha-Yeong; Lee, Myoung Mi; Na, Yu Jeong; Kim, Jin Hoon; Kim, Hyun-Chul; Kim, Cheal; Huh, Seong; Kim, Youngmee; Kim, Sung-Jin
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	11
Pages of publication	4815
a	8.522 ± 0.0017 Å
b	9.091 ± 0.0018 Å
c	11.361 ± 0.002 Å
α	91.44 ± 0.03°
β	110.86 ± 0.03°
γ	98.38 ± 0.03°
Cell volume	810.9 ± 0.3 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	0.1685
Residual factor for significantly intense reflections	0.0796
Weighted residual factors for significantly intense reflections	0.1651
Weighted residual factors for all reflections included in the refinement	0.186
Goodness-of-fit parameter for all reflections included in the refinement	0.808
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
179620 (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 4/50/84.	4508443.cif
91466	2013-12-13	cif/ Adding structures of 4508442, 4508443, 4508444, 4508445, 4508446 via cif-deposit CGI script.	4508443.cif