Crystallography Open Database

Information card for entry 4116052

Preview

Coordinates	4116052.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H16 Fe N6 S2
Calculated formula	C26 H16 Fe N6 S2
Title of publication	X-ray Absorption Spectroscopic Studies on Light-Induced Excited Spin State Trapping of an Fe(II) Complex
Authors of publication	Jey-Jau Lee; Hwo-shuenn Sheu; Chi-Rung Lee; Jin-Ming Chen; Jyh-Fu Lee; Chih-Chieh Wang; Chun-Hsun Huang; Yu Wang
Journal of publication	Journal of the American Chemical Society
Year of publication	2000
Journal volume	122
Pages of publication	5742 - 5747
a	12.51 ± 0.002 Å
b	9.959 ± 0.003 Å
c	16.949 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	2111.6 ± 1 Å³
Cell temperature	20 K
Ambient diffraction temperature	20 K
Number of distinct elements	5
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.069
Residual factor for significantly intense reflections	0.069
Weighted residual factors for all reflections	0.064
Weighted residual factors for significantly intense reflections	0.064
Goodness-of-fit parameter for significantly intense reflections	3.29
Diffraction radiation wavelength	0.642 Å
Diffraction radiation type	Synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4116052.html