Crystallography Open Database

Information card for entry 4510449

Preview

Coordinates	4510449.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H63 Ag2 N12 O7.5
Calculated formula	C39 H63 Ag2 N12 O7.5
Title of publication	Silver(I)/Bipyrazole/Dicarboxylate Interpenetrated Coordination Networks: Spontaneous Chiral Resolution, Modulation of Topologies, Water Clusters, and Photoluminescences
Authors of publication	Han, Lu-Lu; Zhang, Xi-Ying; Chen, Jiang-Shan; Li, Zhong-Hui; Sun, Dao-Feng; Wang, Xing-Po; Sun, Di
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	5
Pages of publication	2230
a	35.034 ± 0.014 Å
b	10.387 ± 0.004 Å
c	30.465 ± 0.013 Å
α	90°
β	113.813 ± 0.007°
γ	90°
Cell volume	10142 ± 7 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1222
Residual factor for significantly intense reflections	0.0563
Weighted residual factors for significantly intense reflections	0.1321
Weighted residual factors for all reflections included in the refinement	0.1636
Goodness-of-fit parameter for all reflections included in the refinement	1.006
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4510449.cif
115661	2014-06-05	cif/ Updating files of 4510442, 4510443, 4510444, 4510445, 4510446, 4510447, 4510448, 4510449 Original log message: Adding full bibliography for 4510442--4510449.cif.	4510449.cif
109582	2014-04-17	cif/ Adding structures of 4510442, 4510443, 4510444, 4510445, 4510446, 4510447, 4510448, 4510449 via cif-deposit CGI script.	4510449.cif