Crystallography Open Database

Information card for entry 7241528

Preview

Coordinates	7241528.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H48 B12 Cl12 Cu N4 O4
Calculated formula	C44 H48 B12 Cl12 Cu N4 O4
Title of publication	Supramolecular Cu(ii)‒dipyridyl frameworks featuring weakly coordinating dodecaborate dianions for selective gas separation
Authors of publication	Wang, Lingyao; Jiang, Tao; Duttwyler, Simon; Zhang, Yuanbin
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	2
Pages of publication	282 - 291
a	43.481 ± 0.007 Å
b	21.109 ± 0.003 Å
c	22.589 ± 0.004 Å
α	90°
β	109.211 ± 0.003°
γ	90°
Cell volume	19579 ± 5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1325
Residual factor for significantly intense reflections	0.0983
Weighted residual factors for significantly intense reflections	0.2539
Weighted residual factors for all reflections included in the refinement	0.2738
Goodness-of-fit parameter for all reflections included in the refinement	1.11
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
261627 (current)	2021-02-05	cif/ Updating files of 7241528, 7241529, 7241530 Original log message: Adding full bibliography for 7241528--7241530.cif.	7241528.cif
259306	2020-11-29	cif/ Adding structures of 7241528, 7241529, 7241530 via cif-deposit CGI script.	7241528.cif