Crystallography Open Database

Information card for entry 7233976

Preview

Coordinates	7233976.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H36 N4 Ni2 O12
Calculated formula	C40 H36 N4 Ni2 O12
Title of publication	Eight coordination compounds assembled from unexplored semi-rigid ether-based unsymmetrical tetracarboxylate and various dipyridyl ligands: structural variation, magnetic and photoluminescence properties
Authors of publication	Yue, Qi; Wang, Yuan-Yuan; Hu, Xiao-Lu; Guo, Wei-Xiao; Gao, En-Qing
Journal of publication	CrystEngComm
Year of publication	2019
a	10.322 ± 0.0006 Å
b	11.3221 ± 0.0006 Å
c	19.1686 ± 0.001 Å
α	100.686 ± 0.002°
β	100.863 ± 0.002°
γ	102.414 ± 0.002°
Cell volume	2088.1 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0533
Residual factor for significantly intense reflections	0.0383
Weighted residual factors for significantly intense reflections	0.0911
Weighted residual factors for all reflections included in the refinement	0.0975
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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
218560 (current)	2019-09-20	cif/ Adding structures of 7233970, 7233971, 7233972, 7233973, 7233974, 7233975, 7233976, 7233977 via cif-deposit CGI script.	7233976.cif