Crystallography Open Database

Information card for entry 7236511

Preview

Coordinates	7236511.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H80 N24 Ni4 O26 S2
Calculated formula	C84 H80 N24 Ni4 O26 S2
Title of publication	Sorption and sensing properties of coordination polymers with mixed 1,3,5-tri(1-imidazolyl)benzene and 2,6-naphthalenedicarboxylate ligands
Authors of publication	Deng, Ye; Yao, Zhao-Yu; Wang, Peng; Zhao, Yue; Kang, Yan-Shang; Azam, Mohammad; Al-Resayes, Saud I.; Sun, Wei-Yin
Journal of publication	RSC Advances
Year of publication	2017
Journal volume	7
Journal issue	71
Pages of publication	44639
a	22.602 ± 0.001 Å
b	13.646 ± 0.001 Å
c	17.163 ± 0.001 Å
α	90°
β	125.812 ± 0.001°
γ	90°
Cell volume	4292.7 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0426
Residual factor for significantly intense reflections	0.0379
Weighted residual factors for significantly intense reflections	0.1008
Weighted residual factors for all reflections included in the refinement	0.1044
Goodness-of-fit parameter for all reflections included in the refinement	1.086
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
236246 (current)	2019-11-24	cif/ Adding structures of 7236511, 7236512, 7236513, 7236514, 7236515 via cif-deposit CGI script.	7236511.cif