Crystallography Open Database

Information card for entry 1570760

Preview

Coordinates	1570760.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C148.66 H167.11 Cu4 N18.66 O46.56
Calculated formula	C148.668 H167.12 Cu4 N18.66 O46.56
Title of publication	Improving the gas sorption capacity in lantern-type metal-organic polyhedra by a scrambled cage method.
Authors of publication	Doñagueda Suso, Beatriz; Wang, Zaoming; Kennedy, Alan R.; Fletcher, Ashleigh J.; Furukawa, Shuhei; Craig, Gavin A.
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	8
Pages of publication	2857 - 2866
a	19.9031 ± 0.0002 Å
b	16.7668 ± 0.0001 Å
c	24.9964 ± 0.0002 Å
α	90°
β	94.081 ± 0.001°
γ	90°
Cell volume	8320.43 ± 0.12 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1073
Residual factor for significantly intense reflections	0.0995
Weighted residual factors for significantly intense reflections	0.3353
Weighted residual factors for all reflections included in the refinement	0.347
Goodness-of-fit parameter for all reflections included in the refinement	1.593
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
290117 (current)	2024-03-04	cif/ Updating files of 1570759, 1570760, 1570761, 1570762 Original log message: Adding full bibliography for 1570759--1570762.cif.	1570760.cif
289036	2024-01-12	cif/ Adding structures of 1570759, 1570760, 1570761, 1570762 via cif-deposit CGI script.	1570760.cif