Crystallography Open Database

Information card for entry 7242377

Preview

Coordinates	7242377.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Fe(bpp)2](TFA)2
Chemical name	[Fe(bpp)2](CF3COO)2
Formula	C26 H18 F6 Fe N10 O4
Calculated formula	C26 H18 F6 Fe N10 O4
Title of publication	Structural, magnetic and Mössbauer spectroscopic studies of the [Fe(3-bpp)2](CF3COO)2 complex: role of crystal packing leading to an incomplete Fe(ii) high spin ⇋ low spin transition
Authors of publication	Sugiyarto, Kristian Handoyo; Onggo, Djulia; Akutsu, Hiroki; Reddy, Varimalla Raghavendra; Sutrisno, Hari; Nakazawa, Yasuhiro; Bhattacharjee, Ashis
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	15
Pages of publication	2854 - 2861
a	19.2114 ± 0.0007 Å
b	21.9406 ± 0.0009 Å
c	13.9778 ± 0.0005 Å
α	90°
β	92.151 ± 0.003°
γ	90°
Cell volume	5887.6 ± 0.4 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0534
Residual factor for significantly intense reflections	0.0441
Weighted residual factors for significantly intense reflections	0.1199
Weighted residual factors for all reflections included in the refinement	0.1264
Goodness-of-fit parameter for all reflections included in the refinement	1.07
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
264895 (current)	2021-05-05	cif/ Updating files of 7242376, 7242377, 7242378, 7242379 Original log message: Adding full bibliography for 7242376--7242379.cif.	7242377.cif
262980	2021-03-11	cif/ Adding structures of 7242376, 7242377, 7242378, 7242379 via cif-deposit CGI script.	7242377.cif