Crystallography Open Database

Information card for entry 1551528

Preview

Coordinates	1551528.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	C17H20N3O2)2Fe2(OH)2(NO3)1.9553Br0.0447(H2O)8
Formula	C34 H58 Br0.04 Fe2 N7.96 O19.87
Calculated formula	C34 H58 Br0.0447 Fe2 N7.9553 O19.8659
Title of publication	Crystal Structure of Bis(μ-hydroxo)diiron(III) Complex with Tripodal Ligands Having a Terminal Carboxylate Group
Authors of publication	ZHANG, Xi; FURUTACHI, Hideki; OHYAMA, Yuya; FUJINAMI, Shuhei; AKINE, Shigehisa; SUZUKI, Masatatsu
Journal of publication	X-ray Structure Analysis Online
Year of publication	2019
Journal volume	35
Journal issue	0
Pages of publication	17
a	10.3845 ± 0.0015 Å
b	11.1976 ± 0.0015 Å
c	20.389 ± 0.004 Å
α	82.119 ± 0.01°
β	85.34 ± 0.01°
γ	68.871 ± 0.007°
Cell volume	2189.3 ± 0.6 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 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 all reflections	0.0481
Residual factor for significantly intense reflections	0.0342
Weighted residual factors for significantly intense reflections	0.092
Weighted residual factors for all reflections included in the refinement	0.0972
Goodness-of-fit parameter for all reflections included in the refinement	1.091
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
216138 (current)	2019-06-20	cif/ Adding structures of 1551528 via cif-deposit CGI script.	1551528.cif