Crystallography Open Database

Information card for entry 1568033

Preview

Coordinates	1568033.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C168 H160 N8 O48 P8 Re4 Si W12
Calculated formula	C168 H160 N8 O48 P8 Re4 Si W12
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	18.8254 ± 0.0003 Å
b	23.1045 ± 0.0003 Å
c	33.0343 ± 0.0004 Å
α	101.307 ± 0.001°
β	101.064 ± 0.001°
γ	112.648 ± 0.001°
Cell volume	12422.4 ± 0.3 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0629
Residual factor for significantly intense reflections	0.0498
Weighted residual factors for significantly intense reflections	0.1463
Weighted residual factors for all reflections included in the refinement	0.1533
Goodness-of-fit parameter for all reflections included in the refinement	1.08
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.	1568033.cif
279669	2022-12-02	cif/ Adding structures of 1568032, 1568033 via cif-deposit CGI script.	1568033.cif