Crystallography Open Database

Information card for entry 7127945

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Coordinates	7127945.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C136 H176 Cl8 N16 O32 Pd4 Si8
Calculated formula	C136 H176 Cl6 N16 O24 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	33.458 ± 0.007 Å
b	17.79 ± 0.004 Å
c	35.572 ± 0.007 Å
α	90°
β	98.68 ± 0.03°
γ	90°
Cell volume	20931 ± 8 Å³
Cell temperature	169 ± 2 K
Ambient diffraction temperature	169 ± 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	0.2251
Residual factor for significantly intense reflections	0.0988
Weighted residual factors for significantly intense reflections	0.2539
Weighted residual factors for all reflections included in the refinement	0.2898
Goodness-of-fit parameter for all reflections included in the refinement	1.159
Diffraction radiation wavelength	0.8 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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