Crystallography Open Database

Information card for entry 1568032

Preview

Coordinates	1568032.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H80 F6 N4 O4 P5 Re2
Calculated formula	C84 H80 F6 N4 O4 P5 Re2
Title of publication	Supramolecular multi-electron redox photosensitisers comprising a ring-shaped Re(i) tetranuclear complex and a polyoxometalate.
Authors of publication	Takahashi, Maria; Asatani, Tsuyoshi; Morimoto, Tatsuki; Kamakura, Yoshinobu; Fujii, Kotaro; Yashima, Masatomo; Hosokawa, Naoki; Tamaki, Yusuke; Ishitani, Osamu
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	3
Pages of publication	691 - 704
a	29.0838 ± 0.0011 Å
b	16.4902 ± 0.0008 Å
c	38.9836 ± 0.0011 Å
α	90°
β	94.942 ± 0.003°
γ	90°
Cell volume	18626.9 ± 1.3 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.141
Residual factor for significantly intense reflections	0.0894
Weighted residual factors for significantly intense reflections	0.247
Weighted residual factors for all reflections included in the refinement	0.2719
Goodness-of-fit parameter for all reflections included in the refinement	1.073
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
281401 (current)	2023-03-04	cif/ Updating files of 1568032, 1568033 Original log message: Adding full bibliography for 1568032--1568033.cif.	1568032.cif
279669	2022-12-02	cif/ Adding structures of 1568032, 1568033 via cif-deposit CGI script.	1568032.cif