Crystallography Open Database

Information card for entry 7127942

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Coordinates	7127942.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C136 H176 N24 O24 Pd4 Si8
Calculated formula	C136 H176 N24.091 O24.273 Pd4 Si8
Title of publication	A cyclic manipulation of cage isomers <i>via</i> anion exchange and thermal isomerism.
Authors of publication	Park, Seonghyeon; Kim, Dongwon; Kim, Doheon; Kim, Dongwook; Jung, Ok-Sang
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2021
Journal volume	57
Journal issue	23
Pages of publication	2919 - 2922
a	33.763 ± 0.007 Å
b	25.417 ± 0.005 Å
c	25.901 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	22227 ± 8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.1333
Residual factor for significantly intense reflections	0.0732
Weighted residual factors for significantly intense reflections	0.1997
Weighted residual factors for all reflections included in the refinement	0.2309
Goodness-of-fit parameter for all reflections included in the refinement	0.846
Diffraction radiation wavelength	0.8 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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