Crystallography Open Database

Information card for entry 7223628

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Structure parameters

Chemical name	Ni3
Formula	C18 H42 N24 Ni3 O6 S6
Calculated formula	C18 H42 N24 Ni3 O6 S6
SMILES	c1(n2[n](c(n1)[NH3+])[Ni]1(n3c([NH3+])nc([n]3[Ni]342([n]2c(nc(n12)[NH3+])SC)n1c(nc([n]1[Ni]([n]1c(nc(n31)SC)[NH3+])(n1c(nc(SC)[n]41)[NH3+])(O)(O)O)[NH3+])SC)SC)(O)(O)O)SC
Title of publication	A sensitive hydrazine hydrate sensor based on mercaptomethyl-terminated trinuclear Ni(II) complex modified gold electrode
Authors of publication	Gu, Xuefang; Li, Xian; Wu, Sijie; Shi, Jian; Jiang, Guoqing; Jiang, Guomin; Tian, Shu
Journal of publication	RSC Adv.
Year of publication	2015
a	19.7049 ± 0.0017 Å
b	14.179 ± 0.0012 Å
c	23.48 ± 0.002 Å
α	90°
β	105.644 ± 0.005°
γ	90°
Cell volume	6317.2 ± 0.9 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.141
Residual factor for significantly intense reflections	0.1161
Weighted residual factors for significantly intense reflections	0.3246
Weighted residual factors for all reflections included in the refinement	0.3421
Goodness-of-fit parameter for all reflections included in the refinement	1.242
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
301865 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure.	7223628.cif
171755	2015-12-29	cif/ Adding structures of 7223628 via cif-deposit CGI script.	7223628.cif