Crystallography Open Database

Information card for entry 7700073

Preview

Coordinates	7700073.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	bis-bis(isoquinolin-5-yl)-isophthalate-tetraiodo-di-zinc(ii) diiodomethane solvate benzene solvate
Formula	C60 H42 I8 N4 O8 Zn2
Calculated formula	C60.022 H42.044 I8.044 N4 O8 Zn2
Title of publication	A series of hetero-multi-spin Ln2Cu3 complexes based on a methyl-pyrazole nitronyl nitroxide radical with slow magnetic relaxation behaviors
Authors of publication	Tian, Li; Liu, Zhong Yi; Shi, Jian Yun; Chen, Pengyun; Wu, Mingze
Journal of publication	Dalton Transactions
Year of publication	2019
a	17.7316 ± 0.001 Å
b	7.4525 ± 0.0004 Å
c	24.9626 ± 0.0015 Å
α	90°
β	93.466 ± 0.004°
γ	90°
Cell volume	3292.6 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.1752
Residual factor for significantly intense reflections	0.0969
Weighted residual factors for significantly intense reflections	0.2413
Weighted residual factors for all reflections included in the refinement	0.2865
Goodness-of-fit parameter for all reflections included in the refinement	1.018
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
215512 (current)	2019-05-25	cif/ Adding structures of 7700072, 7700073, 7700074 via cif-deposit CGI script.	7700073.cif