Crystallography Open Database

Information card for entry 7209073

7209072 << 7209073 >> 7209074

Preview

Coordinates	7209073.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H31 N12 O16.5 Zn3
Calculated formula	C30 H30 N12 O16.5 Zn3
Title of publication	Tuning zinc(ii) coordination polymers based on bis(1,2,4-triazol-1-yl)ethane and 5-substituted 1,3-benzenedicarboxylates: syntheses, structures and properties
Authors of publication	Zhu, Xia; Chen, Qian; Yang, Zhi; Li, Bao-Long; Li, Hai-Yan
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	3
Pages of publication	471
a	17.86 ± 0.002 Å
b	9.6438 ± 0.001 Å
c	23.297 ± 0.003 Å
α	90°
β	104.683 ± 0.003°
γ	90°
Cell volume	3881.6 ± 0.8 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	0.1118
Residual factor for significantly intense reflections	0.0688
Weighted residual factors for significantly intense reflections	0.1492
Weighted residual factors for all reflections included in the refinement	0.1694
Goodness-of-fit parameter for all reflections included in the refinement	1.078
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.	7209073.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7209073.cif
73574	2013-02-20	cif/ Adding structures of 7209068, 7209069, 7209070, 7209071, 7209072, 7209073 via cif-deposit CGI script.	7209073.cif