Crystallography Open Database

Information card for entry 8106392

Preview

Coordinates	8106392.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H96 N10 O28 Zn4
Calculated formula	C62 H96 N10 O28 Zn4
Title of publication	Crystal structure of tetramethylammonium bis(acetato-κ1 O)-tetrakis(μ3-3-((hydroxyimino)methyl)-5-methoxy-2-oxidobenzoate-κ5 O,O′:O′,N:O′′)tetrazinc(II) — N,N′-dimethylformamide — water (1/2/2), C62H96Zn4N10O28
Authors of publication	Niu, Xue L.; Yang, Hua
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2018
Journal volume	233
Journal issue	6
Pages of publication	1039 - 1041
a	12.1072 ± 0.0011 Å
b	27.878 ± 0.003 Å
c	11.4494 ± 0.0009 Å
α	90°
β	102.011 ± 0.002°
γ	90°
Cell volume	3779.9 ± 0.6 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.076
Residual factor for significantly intense reflections	0.0448
Weighted residual factors for significantly intense reflections	0.0975
Weighted residual factors for all reflections included in the refinement	0.1092
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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
279867 (current)	2022-12-13	cif/ Adding structures of 8106392 via cif-deposit CGI script.	8106392.cif