Crystallography Open Database

Information card for entry 7218835

Preview

Coordinates	7218835.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H27 Cl N3 Na Ni O8
Calculated formula	C24 H24 Cl N3 Na Ni O8
SMILES	[C@@H]12[C@H](CCCC1)[N]1=Cc3cccc4c3[O]3[Ni]51[N]2=Cc1cccc2c1[O]5[Na]3([N]#CC)([O]2C)([O]4C)OCl(=O)(=O)=O.[C@H]12[C@@H](CCCC1)[N]1=Cc3cccc4c3[O]3[Ni]51[N]2=Cc1cccc2c1[O]5[Na]3([N]#CC)([O]2C)([O]4C)OCl(=O)(=O)=O
Title of publication	Syntheses, Structures, Optical Properties and Biological activities of Bimetallic Complexes
Authors of publication	Nayek, Hari Pada; Mahato, Mamata; Dey, Dhritiman; Pal, Souvik; Saha, Sudeshna; Ghosh, Abhrajyoti; Harms, Klaus
Journal of publication	RSC Adv.
Year of publication	2014
a	11.394 ± 0.013 Å
b	29.49 ± 0.04 Å
c	9.154 ± 0.01 Å
α	90°
β	123.07 ± 0.04°
γ	90°
Cell volume	2578 ± 5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0458
Residual factor for significantly intense reflections	0.0377
Weighted residual factors for significantly intense reflections	0.0886
Weighted residual factors for all reflections included in the refinement	0.0926
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
180519 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/88.	7218835.cif
127565	2014-11-20	cif/ Adding structures of 7218835, 7218836 via cif-deposit CGI script.	7218835.cif