Crystallography Open Database

Information card for entry 7121042

Preview

Coordinates	7121042.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H23 B11 N2 O
Calculated formula	C11 H23 B11 N2 O
Title of publication	Crystal structure of a carborane endo/exo-dianion and its use in the synthesis of ditopic ligands for supramolecular frameworks.
Authors of publication	Zhang, Kang; Shen, Yunjun; Liu, Jiyong; Spingler, Bernhard; Duttwyler, Simon
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	14
Pages of publication	1698 - 1701
a	7.4039 ± 0.0006 Å
b	14.0616 ± 0.0014 Å
c	18.0481 ± 0.0015 Å
α	90°
β	92.372 ± 0.007°
γ	90°
Cell volume	1877.4 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1434
Residual factor for significantly intense reflections	0.0785
Weighted residual factors for significantly intense reflections	0.1811
Weighted residual factors for all reflections included in the refinement	0.2265
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
228392 (current)	2019-11-17	cif/ Updating files of 7121042, 7121043, 7121044, 7121045, 7121046, 7121047, 7121048 Original log message: Adding full bibliography for 7121042--7121048.cif.	7121042.cif
204498	2017-12-23	cif/ Adding structures of 7121042, 7121043, 7121044, 7121045, 7121046, 7121047, 7121048 via cif-deposit CGI script.	7121042.cif