Crystallography Open Database

Information card for entry 7048265

Preview

Coordinates	7048265.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H42 Fe N5 O3 S2
Calculated formula	C34 H42 Fe N5 O3 S2
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	15.879 ± 0.003 Å
b	12.862 ± 0.003 Å
c	16.892 ± 0.003 Å
α	90°
β	102.985 ± 0.014°
γ	90°
Cell volume	3361.7 ± 1.2 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1574
Residual factor for significantly intense reflections	0.0629
Weighted residual factors for significantly intense reflections	0.1419
Weighted residual factors for all reflections included in the refinement	0.2051
Goodness-of-fit parameter for all reflections included in the refinement	0.937
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.	7048265.cif
212209	2018-11-28	cif/ Adding structures of 7048263, 7048264, 7048265, 7048266 via cif-deposit CGI script.	7048265.cif