Crystallography Open Database

Information card for entry 1561977

1561976 << 1561977 >> 1561978

Preview

Coordinates	1561977.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H18 Mn N16 O10
Calculated formula	C12 H18 Mn N16 O10
SMILES	[Mn]1([O]=C(O[Mn]([O]=C(O1)Cn1nnnc1)([n]1nnn(CC(=O)O)c1)[n]1nnn(CC(=O)O)c1)Cn1nnnc1)([n]1nnn(CC(=O)O)c1)([n]1nnn(CC(=O)O)c1)(OC(Cn1nnnc1)=O)OC(Cn1nnnc1)=O.O.O.O.O
Title of publication	Synthesis, structures, and properties of three Zn(II), Mn(II), and Cd(II) compounds based on tetrazole-1-acetic ligand
Authors of publication	Liu, Dong-Sheng; Chen, Wen-Tong; Xu, Ya-Ping; Shen, Ping; Hu, Shao-Jun; Sui, Yan
Journal of publication	Journal of Solid State Chemistry
Year of publication	2015
Journal volume	226
Pages of publication	186 - 191
a	15.8873 ± 0.001 Å
b	4.9282 ± 0.0003 Å
c	30.1864 ± 0.0019 Å
α	90°
β	100.735 ± 0.001°
γ	90°
Cell volume	2322.1 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0338
Residual factor for significantly intense reflections	0.0301
Weighted residual factors for significantly intense reflections	0.0723
Weighted residual factors for all reflections included in the refinement	0.0756
Goodness-of-fit parameter for all reflections included in the refinement	1.054
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
264394 (current)	2021-04-22	cif/ Adding structures of 1561976, 1561977, 1561978 via cif-deposit CGI script.	1561977.cif