Crystallography Open Database

Information card for entry 4327590

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Structure parameters

Formula	C15 H31 F6 N4 Ni O2 P
Calculated formula	C15 H31 F6 N4 Ni O2 P
Title of publication	Mononuclear Hydroxamate Five-Coordinate Nickel(II) Complexes: Structural and Spectroscopic Characterization
Authors of publication	M. Dolores Santana; Gabriel García; José Pérez; Elíes Molins; Gregorio López
Journal of publication	Inorganic Chemistry
Year of publication	2001
Journal volume	40
Pages of publication	5701 - 5703
a	7.75 ± 0.009 Å
b	20.931 ± 0.009 Å
c	13.286 ± 0.006 Å
α	90°
β	104.02°
γ	90°
Cell volume	2091 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
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	0.0712
Residual factor for significantly intense reflections	0.0429
Weighted residual factors for significantly intense reflections	0.1136
Weighted residual factors for all reflections included in the refinement	0.1287
Goodness-of-fit parameter for all reflections included in the refinement	0.984
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
301838 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/32/ Each referenced PubChem compound corresponds to the full crystal structure.	4327590.cif
179378	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/75.	4327590.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4327590.cif
61412	2012-07-04	cif/ Adding structures of 4327590 via cif-deposit CGI script.	4327590.cif