Crystallography Open Database

Information card for entry 7113492

Preview

Coordinates	7113492.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C75 H83 Cl4 Fe4 N13 O27
Calculated formula	C75 H72 Cl4 Fe4 N13 O27
Title of publication	Regioselective hydroxylation of the xylyl linker in a diiron(III) complex having a carboxylate-rich ligand with H2O2
Authors of publication	Furutachi, Hideki; Murayama, Mizue; Shiohara, Amane; Yamazaki, Satoshi; Fujinami, Shuhei; Uehara, Akira; Suzuki, Masatatsu; Ogo, Seiji; Watanabe, Yoshihito; Maeda, Yonezo
Journal of publication	Chemical Communications (Cambridge, United Kingdom)
Year of publication	2003
Journal issue	15
Pages of publication	1900 - 1901
a	24.961 ± 0.002 Å
b	28.608 ± 0.003 Å
c	12.617 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	9010 ± 3 Å³
Cell temperature	153 K
Number of distinct elements	6
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for significantly intense reflections	0.0637
Weighted residual factors for all reflections included in the refinement	0.1061
Goodness-of-fit parameter for all reflections included in the refinement	1.906
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Duplicate of	7103816
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
210665 (current)	2018-09-09	cif/7/ Updating bibliography in entries 7103815-7103816, 7113491-7113492. Marking entries 7113491-7113492 as duplicates of entries 7103815-7103816.	7113492.cif
176453	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7113492.cif
115089	2014-06-02	cif/ Adding structures of 7113491, 7113492 via cif-deposit CGI script.	7113492.cif