Crystallography Open Database

Information card for entry 1576844

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Coordinates	1576844.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H13 O4 Pd S2
Calculated formula	C8 H13 O4 Pd S2
Title of publication	Two-Dimensional Pd–C Bonded Organometallic Framework with Dynamic Packing Transformations
Authors of publication	Jung, Jong-Yeong; Kim, Jaewook; Gong, Jintaek; Kim, Dongwook; Song, Hyunjoon; Lee, Hee-Seung
Journal of publication	Chemical Science
Year of publication	2026
a	20.1486 ± 0.0008 Å
b	7.9481 ± 0.0003 Å
c	15.6495 ± 0.0006 Å
α	90°
β	105.272 ± 0.0013°
γ	90°
Cell volume	2417.66 ± 0.16 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0339
Residual factor for significantly intense reflections	0.0284
Weighted residual factors for significantly intense reflections	0.0525
Weighted residual factors for all reflections included in the refinement	0.0544
Goodness-of-fit parameter for all reflections included in the refinement	1.137
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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