Crystallography Open Database

Information card for entry 7127944

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Coordinates	7127944.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C146 H206 B8 F32 N16 O5 Pd4 S5 Si8
Calculated formula	C146 H206 B8 F32 N16 O5 Pd4 S5 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	17.968 ± 0.004 Å
b	18.783 ± 0.004 Å
c	20.866 ± 0.004 Å
α	104.55 ± 0.03°
β	108.76 ± 0.03°
γ	106.52 ± 0.03°
Cell volume	5920 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	9
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1279
Residual factor for significantly intense reflections	0.0906
Weighted residual factors for significantly intense reflections	0.2776
Weighted residual factors for all reflections included in the refinement	0.2966
Goodness-of-fit parameter for all reflections included in the refinement	1.075
Diffraction radiation wavelength	0.7 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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