Crystallography Open Database

Information card for entry 8107360

Preview

Coordinates	8107360.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H54 Br4 N8 O4 Zn
Calculated formula	C32 H54 Br4 N8 O4 Zn
SMILES	[Zn](Br)(Br)([Br-])[Br-].Oc1cc(N(CC)CC)ccc1/C=N/NC(=O)C[N+](C)(C)C.Oc1cc(N(CC)CC)ccc1/C=N/NC(=O)C[N+](C)(C)C
Title of publication	Crystal structure of bis{[(4-diethylamino-2-hydroxy-benzylidene)-hydrazinocarbonylmethyl]-trimethylammonium} tetrabromozincate, C32H54N8O4ZnBr4
Authors of publication	Zhang, Shi-Lin
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2023
Journal volume	238
Journal issue	1
Pages of publication	87 - 89
a	8.25 ± 0.005 Å
b	12.289 ± 0.01 Å
c	20.954 ± 0.014 Å
α	82.36 ± 0.02°
β	81.977 ± 0.014°
γ	86.96 ± 0.02°
Cell volume	2084 ± 3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0962
Residual factor for significantly intense reflections	0.0525
Weighted residual factors for significantly intense reflections	0.1205
Weighted residual factors for all reflections included in the refinement	0.1419
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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
284465 (current)	2023-06-15	cif/ Adding structures of 8107360 via cif-deposit CGI script.	8107360.cif