Crystallography Open Database

Information card for entry 7125945

Preview

Coordinates	7125945.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C360 H312 N58 O90 Pd6 S12
Calculated formula	C360 H312 N58 O90 Pd6 S12
Title of publication	Molecular balloon, Pd<sub>6</sub>L<sub>8</sub> cages: recognition of alkyl sulfate surfactants.
Authors of publication	Lee, Haeri; Kim, Dongwon; Oh, Hyejin; Jung, Ok-Sang
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	19
Pages of publication	2841 - 2844
a	26.739 ± 0.005 Å
b	26.793 ± 0.005 Å
c	29.537 ± 0.006 Å
α	64.09 ± 0.03°
β	77.3 ± 0.03°
γ	86.34 ± 0.03°
Cell volume	18556 ± 8 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1503
Residual factor for significantly intense reflections	0.1122
Weighted residual factors for significantly intense reflections	0.3608
Weighted residual factors for all reflections included in the refinement	0.3831
Goodness-of-fit parameter for all reflections included in the refinement	1.341
Diffraction radiation wavelength	0.8 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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