Crystallography Open Database

Information card for entry 7224903

Preview

Coordinates	7224903.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H78 Cl12 N28 Ni8 O6
Calculated formula	C56 H78 Cl12 N28 Ni8 O6
Title of publication	Octanuclear Ni(ii) cubes based on halogen-substituted pyrazolates: synthesis, structure, electrochemistry and magnetism
Authors of publication	Wang, Zhi; Jagličić, Zvonko; Han, Lu-Lu; Zhuang, Gui-Lin; Luo, Geng-Geng; Zeng, Su-Yuan; Tung, Chen-Ho; Sun, Di
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	19
Pages of publication	3462
a	11.786 ± 0.002 Å
b	11.786 Å
c	29.019 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	4031 ± 1.1 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	128
Hermann-Mauguin space group symbol	P 4/m n c
Hall space group symbol	-P 4 2n
Residual factor for all reflections	0.0486
Residual factor for significantly intense reflections	0.0354
Weighted residual factors for significantly intense reflections	0.0852
Weighted residual factors for all reflections included in the refinement	0.093
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
185292 (current)	2016-08-07	cif/ Updating files of 7224903, 7224904, 7224905 Original log message: Adding full bibliography for 7224903--7224905.cif.	7224903.cif
182062	2016-04-13	cif/ Adding structures of 7224903, 7224904, 7224905 via cif-deposit CGI script.	7224903.cif