Crystallography Open Database

Information card for entry 7230093

Preview

Coordinates	7230093.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	SuperNova
Formula	C43 H33 N9 Ni3 O8
Calculated formula	C43 H33 N9 Ni3 O8
Title of publication	A family of 3d metal clusters based on N‒N single bonds bridged quasi-linear trinuclear cores: the Mn analogue displaying single-molecule magnet behavior
Authors of publication	Wang, Kai; Tang, Shen; Hu, Zhao-Bo; Zou, Hua-Hong; Wang, Xiao-Lu; Li, Yan; Zhang, Shu-Hua; Chen, Zi-Lu; Liang, Fu-Pei
Journal of publication	RSC Advances
Year of publication	2018
Journal volume	8
Journal issue	12
Pages of publication	6218
a	17.9052 ± 0.0002 Å
b	25.3476 ± 0.0002 Å
c	8.9987 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	4084.09 ± 0.07 Å³
Cell temperature	150.15 K
Ambient diffraction temperature	150.15 K
Number of distinct elements	5
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0279
Residual factor for significantly intense reflections	0.0265
Weighted residual factors for significantly intense reflections	0.0694
Weighted residual factors for all reflections included in the refinement	0.0703
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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
206293 (current)	2018-02-08	cif/ Adding structures of 7230092, 7230093, 7230094, 7230095 via cif-deposit CGI script.	7230093.cif