Crystallography Open Database

Information card for entry 1551536

Preview

Coordinates	1551536.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[LFe2(PhCO2)(MeCN)](BF4)2_2MeCN_3EtOH
Formula	C96 H101 B2 F8 Fe2 N13 O6
Calculated formula	C96 H101 B2 F8 Fe2 N13 O6
Title of publication	Crystal Structure of μ-Phenoxo-μ-benzoate-bridged Dinuclear Fe(II) Complex with a Dinucleating Ligand Having a Sterically Bulky Imidazolyl Group
Authors of publication	YASUDA, Yuichi; FURUTACHI, Hideki; HAYASHI, Yosuke; ISHIZAKI, Kana; FUJINAMI, Shuhei; AKINE, Shigehisa; SUZUKI, Masatatsu; NAGATOMO, Shigenori; KITAGAWA, Teizo
Journal of publication	X-ray Structure Analysis Online
Year of publication	2019
Journal volume	35
Journal issue	0
Pages of publication	11
a	15.569 ± 0.001 Å
b	23.826 ± 0.0008 Å
c	24.821 ± 0.002 Å
α	90°
β	95.346 ± 0.0003°
γ	90°
Cell volume	9167.2 ± 1 Å³
Cell temperature	108 K
Ambient diffraction temperature	108 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	0.0367
Residual factor for significantly intense reflections	0.0336
Weighted residual factors for significantly intense reflections	0.0825
Weighted residual factors for all reflections included in the refinement	0.085
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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
216146 (current)	2019-06-20	cif/ Adding structures of 1551536 via cif-deposit CGI script.	1551536.cif