Crystallography Open Database

Information card for entry 7011663

Preview

Coordinates	7011663.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H17 F24 N4 Ni2 O8
Calculated formula	C37 H17 F24 N4 Ni2 O8
Title of publication	Antiferromagnetic coupling of transition metal spins across pyrimidine and pyrazine bridges in dinuclear manganese(II), cobalt(II), nickel(II) and copper(II) 1,1,1,5,5,5-hexafluoropentane-2,4-dionate complexes
Authors of publication	Takayuki Ishida; Takashi Kawakami; Shin-ichi Mitsubori; Takashi Nogami; Kizashi Yamaguchi; Hiizu Iwamura
Journal of publication	J. Chem. Soc., Dalton Trans.
Year of publication	2002
Journal issue	16
Pages of publication	3177 - 3186
a	13.943 ± 0.002 Å
b	15.06 ± 0.002 Å
c	11.682 ± 0.002 Å
α	95.441 ± 0.007°
β	91.207 ± 0.007°
γ	114.168 ± 0.003°
Cell volume	2223.1 ± 0.6 Å³
Cell temperature	100 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0539
Weighted residual factors for all reflections included in the refinement	0.1687
Goodness-of-fit parameter for all reflections included in the refinement	1.463
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7011663.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7011663.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7011663.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7011663.cif