Crystallography Open Database

Information card for entry 8106707

Preview

Coordinates	8106707.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H50 Cl2 N6 O12 Zn3
Calculated formula	C44 H50 Cl2 N6 O12 Zn3
Title of publication	Synthesis and crystal structure of bis(μ2-acetato-κ2 O:O′)-bis{μ2-4-chloro-2-(8-(4-(diethylamino)-2-oxidophenyl)-3,6-dioxa-2,7-diazaocta-1,7-dien-1-yl)phenolato-κ6 O:O,N,N′,O′:O′}trizinc(II), C44H49Cl2N6O12Zn3
Authors of publication	Li, Li; Hao, Jing; Lan, Peng-Fei; Dong, Wen-Kui
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2017
Journal volume	232
Journal issue	6
Pages of publication	877 - 879
a	9.7387 ± 0.0008 Å
b	13.7034 ± 0.0012 Å
c	20.2498 ± 0.0016 Å
α	72.539 ± 0.008°
β	82.872 ± 0.007°
γ	72.157 ± 0.008°
Cell volume	2452.3 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.1894
Residual factor for significantly intense reflections	0.06
Weighted residual factors for significantly intense reflections	0.0798
Weighted residual factors for all reflections included in the refinement	0.1392
Goodness-of-fit parameter for all reflections included in the refinement	0.82
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
280807 (current)	2023-02-07	cif/ Adding structures of 8106707 via cif-deposit CGI script.	8106707.cif