Crystallography Open Database

Information card for entry 1560500

Preview

Coordinates	1560500.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C127 H101 B Br4 N12 Ni Ru S3
Calculated formula	C127 H101 B Br4 N12 Ni Ru S3
Title of publication	Desymmetrised pentaporphyrinic gears mounted on metallo-organic anchors
Authors of publication	Abid, Seifallah; Gisbert, Yohan; Kojima, Mitsuru; Saffon-Merceron, Nathalie; Cuny, Jérôme; Kammerer, Claire; Rapenne, Gwénaël
Journal of publication	Chemical Science
Year of publication	2021
Journal volume	12
Journal issue	13
Pages of publication	4709 - 4721
a	16.1291 ± 0.0006 Å
b	19.1492 ± 0.0007 Å
c	24.8626 ± 0.001 Å
α	75.72 ± 0.003°
β	89.677 ± 0.003°
γ	66.509 ± 0.003°
Cell volume	6787.8 ± 0.5 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 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	0.1019
Residual factor for significantly intense reflections	0.0587
Weighted residual factors for significantly intense reflections	0.1477
Weighted residual factors for all reflections included in the refinement	0.1733
Goodness-of-fit parameter for all reflections included in the refinement	0.976
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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