Crystallography Open Database

Information card for entry 7121013

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Coordinates	7121013.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C170 H152 F24 Ir4 N16 O32 S8
Calculated formula	C166 H124 F18 Ir4 N16 O22 S6
Title of publication	Stacking-interaction-induced host-guest chemistry and Borromean rings based on a polypyridyl ligand.
Authors of publication	Zhang, Hai-Ning; Gao, Wen-Xi; Deng, Yu-Xin; Lin, Yue-Jian; Jin, Guo-Xin
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	13
Pages of publication	1559 - 1562
a	19.945 ± 0.008 Å
b	14.605 ± 0.006 Å
c	31.218 ± 0.012 Å
α	90°
β	101.754 ± 0.007°
γ	90°
Cell volume	8903 ± 6 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	213 ± 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	0.1034
Residual factor for significantly intense reflections	0.0518
Weighted residual factors for significantly intense reflections	0.1233
Weighted residual factors for all reflections included in the refinement	0.1395
Goodness-of-fit parameter for all reflections included in the refinement	0.904
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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