Crystallography Open Database

Information card for entry 7048263

Preview

Coordinates	7048263.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H44 Fe2 N8 O4 S4
Calculated formula	C52 H44 Fe2 N8 O4 S4
Title of publication	Dioxygen activation by a dinuclear thiolate-ligated Fe(ii) complex.
Authors of publication	Hsieh, Chang-Chih; Liu, Yu-Chiao; Tseng, Mei-Chun; Chiang, Ming-Hsi; Horng, Yih-Chern
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	2
Pages of publication	379 - 386
a	11.1144 ± 0.0006 Å
b	15.7599 ± 0.0007 Å
c	14.9052 ± 0.0007 Å
α	90°
β	105.382 ± 0.003°
γ	90°
Cell volume	2517.3 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0539
Residual factor for significantly intense reflections	0.035
Weighted residual factors for significantly intense reflections	0.1019
Weighted residual factors for all reflections included in the refinement	0.1213
Goodness-of-fit parameter for all reflections included in the refinement	0.789
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
224138 (current)	2019-11-07	cif/ Updating files of 7048263, 7048264, 7048265, 7048266 Original log message: Adding full bibliography for 7048263--7048266.cif.	7048263.cif
212209	2018-11-28	cif/ Adding structures of 7048263, 7048264, 7048265, 7048266 via cif-deposit CGI script.	7048263.cif