Crystallography Open Database

Information card for entry 7207993

7207992 << 7207993 >> 7207994

Preview

Coordinates	7207993.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H15 N3 O8.5 Zn
Calculated formula	C11 H15 N3 O8.5 Zn
Title of publication	An unusual three-dimensional coordination network formed by parallel polythreading of two-fold polycatenated (6,3) layers
Authors of publication	Cui, Yan-Feng; Sun, Peng-Peng; Chen, Qian; Li, Bao-Long; Li, Hai-Yan
Journal of publication	CrystEngComm
Year of publication	2012
Journal volume	14
Journal issue	12
Pages of publication	4161
a	21.783 ± 0.006 Å
b	11.251 ± 0.002 Å
c	15.826 ± 0.004 Å
α	90°
β	130.55 ± 0.004°
γ	90°
Cell volume	2947.1 ± 1.2 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 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	0.0781
Residual factor for significantly intense reflections	0.0533
Weighted residual factors for significantly intense reflections	0.0944
Weighted residual factors for all reflections included in the refinement	0.1032
Goodness-of-fit parameter for all reflections included in the refinement	1.095
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7207993.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7207993.cif
60414	2012-06-14	cif/ Adding structures of 7207993 via cif-deposit CGI script.	7207993.cif