Crystallography Open Database

Information card for entry 7241529

Preview

Coordinates	7241529.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	BSF-72
Formula	C48 H36 B12 Cl12 Cu2 N6 O4
Calculated formula	C48 H36 B12 Cl12 Cu2 N6 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	13.943 ± 0.003 Å
b	14.893 ± 0.003 Å
c	15.01 ± 0.003 Å
α	94.689 ± 0.004°
β	104.281 ± 0.004°
γ	115.487 ± 0.004°
Cell volume	2663 ± 1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1483
Residual factor for significantly intense reflections	0.0754
Weighted residual factors for significantly intense reflections	0.2213
Weighted residual factors for all reflections included in the refinement	0.2465
Goodness-of-fit parameter for all reflections included in the refinement	1.085
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.	7241529.cif
259306	2020-11-29	cif/ Adding structures of 7241528, 7241529, 7241530 via cif-deposit CGI script.	7241529.cif