Crystallography Open Database

Information card for entry 1560499

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Coordinates	1560499.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57 H43 Cl3 N6 Ni
Calculated formula	C57 H43 Cl3 N6 Ni
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	9.4132 ± 0.0009 Å
b	16.3463 ± 0.0012 Å
c	31.8 ± 0.003 Å
α	90°
β	91.407 ± 0.003°
γ	90°
Cell volume	4891.6 ± 0.7 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	5
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	0.1321
Residual factor for significantly intense reflections	0.0667
Weighted residual factors for significantly intense reflections	0.1487
Weighted residual factors for all reflections included in the refinement	0.1852
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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