Crystallography Open Database

Information card for entry 7700072

Preview

Coordinates	7700072.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	bis-bis(isoquinolin-5-yl)-isophthalate-tetraiodo-di-zinc(ii) acetonitrile solvate solvate solvate tetrahydrofuran solvate solvate solvate
Formula	C61.8 H48.1 I4 N7.5 O8.7 Zn2
Calculated formula	C61.744 H48.024 I4 N7.464 O8.704 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	17.865 ± 0.004 Å
b	24.913 ± 0.005 Å
c	7.4 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	3293.5 ± 1.2 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	59
Hermann-Mauguin space group symbol	P m m n
Hall space group symbol	-P 2ab 2a
Residual factor for all reflections	0.0442
Residual factor for significantly intense reflections	0.044
Weighted residual factors for significantly intense reflections	0.1312
Weighted residual factors for all reflections included in the refinement	0.1315
Goodness-of-fit parameter for all reflections included in the refinement	1.08
Diffraction radiation wavelength	0.63 Å
Diffraction radiation type	synchrotron
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.	7700072.cif