Crystallography Open Database

Information card for entry 7226065

Preview

Structure parameters

Common name	[Ni2(NO3)3(L-chloro)](H2O)0.7
Formula	C24 H29.4 Cl N7 Ni2 O10.7
Calculated formula	C24 H29.4 Cl N7 Ni2 O10.7
Title of publication	Role of para-substitution in controlling phosphatase activity of dinuclear NiII complexes of Mannich-base ligands: experimental and DFT studies\
Authors of publication	Das, Debasis; Sanyal, Ria; Zhang, Xuepeng; Chakraborty, Prateeti; Mautner, Franz Andreas; Zhao, Cunyuan
Journal of publication	RSC Adv.
Year of publication	2016
a	10.6743 ± 0.0011 Å
b	15.6272 ± 0.0017 Å
c	18.068 ± 0.002 Å
α	90°
β	97.609 ± 0.003°
γ	90°
Cell volume	2987.4 ± 0.6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0462
Residual factor for significantly intense reflections	0.0352
Weighted residual factors for significantly intense reflections	0.0979
Weighted residual factors for all reflections included in the refinement	0.1044
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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.	7226065.cif
204137	2017-12-10	cif/7/ Updating space group information in entries 7216946, 7220752, 7222210, 7224570, 7226065.	7226065.cif
204082	2017-12-09	cif/7/ Removing misspelt variants of the _symmetry_space_group_name_hall data name from entries 7034779, 7224570, 7226065.	7226065.cif
184705	2016-07-28	cif/ Adding structures of 7226065, 7226066, 7226067, 7226068 via cif-deposit CGI script.	7226065.cif