Crystallography Open Database

Information card for entry 4134957

Preview

Coordinates	4134957.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C300 H348 Cu24 N36 O204 S24
Calculated formula	C300 H348 Cu24 N36 O204 S24
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	35.9458 ± 0.0006 Å
b	35.9458 ± 0.0006 Å
c	28.285 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	36547.1 ± 1.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	128
Hermann-Mauguin space group symbol	P 4/m n c
Hall space group symbol	-P 4 2n
Residual factor for all reflections	0.1094
Residual factor for significantly intense reflections	0.0924
Weighted residual factors for significantly intense reflections	0.2624
Weighted residual factors for all reflections included in the refinement	0.298
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
252618 (current)	2020-06-04	cif/ Updating files of 4134956, 4134957, 4134958, 4134959, 4134960 Original log message: Adding full bibliography for 4134956--4134960.cif.	4134957.cif
252025	2020-05-14	cif/ Adding structures of 4134956, 4134957, 4134958, 4134959, 4134960 via cif-deposit CGI script.	4134957.cif