Crystallography Open Database

Information card for entry 7119201

7119200 << 7119201 >> 7119202

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Coordinates	7119201.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H26 Fe2 O5 P S4
Calculated formula	C25 H26 Fe2 O5 P S4
Title of publication	Reduced thione ligation is preferred over neutral phosphine ligation in diiron biomimics regarding electronic functionality: a spectroscopic and computational investigation.
Authors of publication	Yen, Tao-Hung; He, Zong-Cheng; Lee, Gene-Hsiang; Tseng, Mei-Chun; Shen, Yu-Hsuan; Tseng, Tien-Wen; Liaw, Wen-Feng; Chiang, Ming-Hsi
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2016
Journal volume	53
Journal issue	2
Pages of publication	332 - 335
a	9.2411 ± 0.0003 Å
b	11.5601 ± 0.0004 Å
c	15.5168 ± 0.0006 Å
α	92.0833 ± 0.0013°
β	103.405 ± 0.0011°
γ	113.416 ± 0.0011°
Cell volume	1464.26 ± 0.09 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 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	0.0362
Residual factor for significantly intense reflections	0.0278
Weighted residual factors for significantly intense reflections	0.0654
Weighted residual factors for all reflections included in the refinement	0.0689
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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
189729 (current)	2017-01-01	cif/ Adding structures of 7119201, 7119202, 7119203, 7119204, 7119205 via cif-deposit CGI script.	7119201.cif