Crystallography Open Database

Information card for entry 7715517

Preview

Coordinates	7715517.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C132 H96 Cu8 Fe12 N16 O36 S4
Calculated formula	C132 H96 Cu8 Fe12 N16 O36 S4
Title of publication	Inorganic-organic hybrid Cu-dipyridyl semiconducting polymers based on the redox-active cluster [SFe<sub>3</sub>(CO)<sub>9</sub>]<sup>2-</sup>: filling the gap in iron carbonyl chalcogenide polymers.
Authors of publication	Hsu, Ming-Chi; Lin, Ru Yan; Sun, Tzu-Yen; Huang, Yu-Xin; Li, Min-Sian; Li, Yu-Huei; Chen, Hui-Lung; Shieh, Minghuey
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	17
Pages of publication	7303 - 7314
a	32.1519 ± 0.0009 Å
b	11.8405 ± 0.0003 Å
c	19.0752 ± 0.0006 Å
α	90°
β	94.033 ± 0.001°
γ	90°
Cell volume	7243.8 ± 0.4 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	7
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	0.0548
Residual factor for significantly intense reflections	0.0395
Weighted residual factors for significantly intense reflections	0.0898
Weighted residual factors for all reflections included in the refinement	0.0992
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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
291611 (current)	2024-05-05	cif/ Updating files of 7715517, 7715518, 7715519, 7715520, 7715521, 7715522 Original log message: Adding full bibliography for 7715517--7715522.cif.	7715517.cif
290657	2024-03-27	cif/ Adding structures of 7715517, 7715518, 7715519, 7715520, 7715521, 7715522 via cif-deposit CGI script.	7715517.cif