Crystallography Open Database

Information card for entry 4511625

Preview

Coordinates	4511625.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H14 N2 O7 Zn2
Calculated formula	C13 H14 N2 O7 Zn2
Title of publication	Two Three-Dimensional Metal−Organic Frameworks from Secondary Building Units of Zn8(OH)4(O2C−)12and Zn2((OH)(O2C−)3: [Zn2(OH)(btc)]2(4,4‘-bipy) and Zn2(OH)(btc)(pipe)
Authors of publication	Shi, Zhan; Li, Guanghua; Wang, Lei; Gao, Lu; Chen, Xiaobo; Hua, Jia; Feng, Shouhua
Journal of publication	Crystal Growth & Design
Year of publication	2004
Journal volume	4
Journal issue	1
Pages of publication	25
a	8.3595 ± 0.0002 Å
b	11.3634 ± 0.0003 Å
c	16.3161 ± 0.0005 Å
α	90°
β	102.265 ± 0.002°
γ	90°
Cell volume	1514.53 ± 0.07 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.028
Residual factor for significantly intense reflections	0.0233
Weighted residual factors for significantly intense reflections	0.0589
Weighted residual factors for all reflections included in the refinement	0.0602
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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
179663 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/16.	4511625.cif
120178	2014-07-12	cif/ Adding structures of 4511625, 4511626 via cif-deposit CGI script.	4511625.cif