Crystallography Open Database

Information card for entry 7048266

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Coordinates	7048266.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H10 N2 O S
Calculated formula	C13 H10 N2 O S
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	9.9938 ± 0.0016 Å
b	13.994 ± 0.002 Å
c	8.1879 ± 0.0013 Å
α	90°
β	97.361 ± 0.011°
γ	90°
Cell volume	1135.7 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
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	0.0541
Residual factor for significantly intense reflections	0.0389
Weighted residual factors for significantly intense reflections	0.1295
Weighted residual factors for all reflections included in the refinement	0.1428
Goodness-of-fit parameter for all reflections included in the refinement	0.985
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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