Crystallography Open Database

Information card for entry 1549472

Preview

Coordinates	1549472.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H54 B2 N2
Calculated formula	C48 H54 B2 N2
SMILES	[NH2]1[NH2][B](c2cccc3c4cccc(c4c23)[B]1(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
Title of publication	Large-bite diboranes for the μ(1,2) complexation of hydrazine and cyanide.
Authors of publication	Chen, Chang-Hong; Gabbaï, François P
Journal of publication	Chemical science
Year of publication	2018
Journal volume	9
Journal issue	29
Pages of publication	6210 - 6218
a	18.849 ± 0.003 Å
b	11.5959 ± 0.0016 Å
c	20.422 ± 0.003 Å
α	90°
β	106.914 ± 0.0018°
γ	90°
Cell volume	4270.6 ± 1.1 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 K
Number of distinct elements	4
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	0.0567
Residual factor for significantly intense reflections	0.0512
Weighted residual factors for significantly intense reflections	0.1412
Weighted residual factors for all reflections included in the refinement	0.1471
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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
228624 (current)	2019-11-17	cif/ Updating files of 1549471, 1549472, 1549473, 1549474 Original log message: Adding full bibliography for 1549471--1549474.cif.	1549472.cif
208008	2018-05-29	cif/ Adding structures of 1549471, 1549472, 1549473, 1549474 via cif-deposit CGI script.	1549472.cif