Crystallography Open Database

Information card for entry 2020881

2020880 << 2020881 >> 2020882

Preview

Coordinates	2020881.cif
Structure factors	2020881.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	Bis[μ-5-(3-phenylprop-2-enamido)-1<i>H</i>-1,2,3,4-tetrazol-1-ido]-κ^3^<i>N</i>^1^,<i>O</i>:<i>N</i>^2^;κ^3^<i>N</i>^2^:<i>N</i>^1^,<i>O</i>-bis{aqua[5-(3-phenylprop-2-enamido)-1<i>H</i>-1,2,3,4-tetrazol-1-ido-κ^2^<i>N</i>^1^,<i>O</i>]lead(II)}
Formula	C40 H36 N20 O6 Pb2
Calculated formula	C40 H36 N20 O6 Pb2
SMILES	[Pb]12([OH2])([O]=C(/C=C/c3ccccc3)Nc3n1nnn3)[O]=C(/C=C/c1ccccc1)Nc1n2nnn1
Title of publication	Manganese(II), lead(II) and cadmium(II) coordination complexes containing a tetrazole-based acylamide ligand: synthesis and the influence of the metal ions on the structures
Authors of publication	Lin, Xiao-Ying; Zheng, Qin-Qin; Gong, Ling-Zhu; Liu, Ya-Min; Liu, Min-Yi; Liu, Xin-Zhong
Journal of publication	Acta Crystallographica Section C
Year of publication	2018
Journal volume	74
Journal issue	2
a	9.1343 ± 0.0018 Å
b	14.26 ± 0.003 Å
c	16.985 ± 0.003 Å
α	90°
β	91.3 ± 0.03°
γ	90°
Cell volume	2211.8 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0353
Residual factor for significantly intense reflections	0.0331
Weighted residual factors for significantly intense reflections	0.0904
Weighted residual factors for all reflections included in the refinement	0.0921
Goodness-of-fit parameter for all reflections included in the refinement	1.002
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
205156 (current)	2018-01-13	cif/ hkl/ Adding structures of 2020880, 2020881, 2020882 via cif-deposit CGI script.	2020881.cif 2020881.hkl