Crystallography Open Database

Information card for entry 4335893

Preview

Coordinates	4335893.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Zn(R-tzet)]n
Chemical name	[Zn(R-tzet)]n
Formula	C14 H14 N6 O2 Zn
Calculated formula	C14 H14 N6 O2 Zn
Title of publication	Homochiral Zinc(II) Coordination Compounds Based on In-Situ-Generated Chiral Amino Acid-Tetrazole Ligands: Circular Dichroism, Excitation Light-Induced Tunable Photoluminescence, and Energetic Performance
Authors of publication	Shuai-Hua Wang; Fa-Kun Zheng; Ming-Jian Zhang; Zhi-Fa Liu; Jun Chen; Yu Xiao; A-Qing Wu; Guo-Cong Guo; Jin-Shun Huang
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	10096 - 10104
a	7.107 ± 0.002 Å
b	8.357 ± 0.003 Å
c	26.572 ± 0.009 Å
α	90°
β	90°
γ	90°
Cell volume	1578.2 ± 0.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0526
Residual factor for significantly intense reflections	0.0409
Weighted residual factors for significantly intense reflections	0.0783
Weighted residual factors for all reflections included in the refinement	0.0833
Goodness-of-fit parameter for all reflections included in the refinement	0.982
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
179461 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/58.	4335893.cif
171491	2015-12-13	cif/ (antanas@echidna.ibt.lt) Removing surrounding qoutes ("'") from the _chemical_name_systematic tag values in multiple entries in range 4.	4335893.cif
101846	2014-02-18	cif/ Adding structures of 4335893 via cif-deposit CGI script.	4335893.cif