Crystallography Open Database

Information card for entry 4348958

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Structure parameters

Formula	C52 H62 F12 N6 Ni O4
Calculated formula	C52 H62 F12 N6 Ni O4
SMILES	[Ni]12(OC(=CC(=[N]1c1ccc(cc1)CCCCCC)C(F)(F)F)C(F)(F)F)(OC(=CC(=[N]2c1ccc(cc1)CCCCCC)C(F)(F)F)C(F)(F)F)([n]1ccc([N](=O)C(C)(C)C)cc1)[n]1ccc([N](=O)C(C)(C)C)cc1
Title of publication	Diazopyridine–Ni(ii) complexes exhibiting intra-chain ferromagnetic interaction after irradiation: formation of magnetic gel
Authors of publication	Mori, Koya; Eguchi, Rumi; Karasawa, Satoru; Koga, Noboru
Journal of publication	Inorganic Chemistry Frontiers
Year of publication	2015
Journal volume	2
Journal issue	10
Pages of publication	917
a	11.0039 ± 0.0006 Å
b	45.083 ± 0.003 Å
c	11.3568 ± 0.0007 Å
α	90°
β	105.098 ± 0.004°
γ	90°
Cell volume	5439.5 ± 0.6 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.0762
Weighted residual factors for all reflections included in the refinement	0.1895
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301840 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure.	4348958.cif
233510	2019-11-23	cif/ Adding structures of 4348958 via cif-deposit CGI script.	4348958.cif