Crystallography Open Database

Information card for entry 4134956

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Coordinates	4134956.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C468 H396 Cu24 N12 O278 S24 Zr24
Calculated formula	C468 H396 Cu24 N12 O278 S24 Zr24
Title of publication	A Charged Coordination Cage-Based Porous Salt.
Authors of publication	Gosselin, Eric J.; Decker, Gerald E.; Antonio, Alexandra M.; Lorzing, Gregory R.; Yap, Glenn P. A.; Bloch, Eric D.
Journal of publication	Journal of the American Chemical Society
Year of publication	2020
Journal volume	142
Journal issue	21
Pages of publication	9594 - 9598
a	31.6505 ± 0.0013 Å
b	31.6505 ± 0.0013 Å
c	28.6511 ± 0.0015 Å
α	90°
β	90°
γ	120°
Cell volume	24856.1 ± 1.9 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	164
Hermann-Mauguin space group symbol	P -3 m 1
Hall space group symbol	-P 3 2"
Residual factor for all reflections	0.0971
Residual factor for significantly intense reflections	0.0707
Weighted residual factors for significantly intense reflections	0.1967
Weighted residual factors for all reflections included in the refinement	0.2236
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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