Crystallography Open Database

Information card for entry 7710392

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Coordinates	7710392.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C141 H124 Cl2 F24 N32 O24 P4 Pd4 S8
Calculated formula	C140 H124 Cl2 F21 N32 O21 P4 Pd4 S7
Title of publication	Phosphorus guiding palladium: [4+4] metallomacrocyclic PdII complex and self-assembly of heterometallic PdII/ZnII grid-type complex
Authors of publication	Clauss, Reike; Hey-Hawkins, Evamarie
Journal of publication	Dalton Transactions
Year of publication	2022
a	26.4899 ± 0.0003 Å
b	21.7388 ± 0.0003 Å
c	32.7073 ± 0.0003 Å
α	90°
β	95.369 ± 0.001°
γ	90°
Cell volume	18752.1 ± 0.4 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	9
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	0.0882
Residual factor for significantly intense reflections	0.0558
Weighted residual factors for significantly intense reflections	0.1381
Weighted residual factors for all reflections included in the refinement	0.1538
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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