Crystallography Open Database

Information card for entry 1549471

Preview

Coordinates	1549471.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H56 B2
Calculated formula	C56 H56 B2
SMILES	c1(cccc2c1C1c3c(cccc3C2c2ccccc12)B(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)B(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	11.785 ± 0.003 Å
b	19.051 ± 0.005 Å
c	19.029 ± 0.005 Å
α	90°
β	93.29 ± 0.004°
γ	90°
Cell volume	4265.3 ± 1.9 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 K
Number of distinct elements	3
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	0.1521
Residual factor for significantly intense reflections	0.0727
Weighted residual factors for significantly intense reflections	0.123
Weighted residual factors for all reflections included in the refinement	0.154
Goodness-of-fit parameter for all reflections included in the refinement	1.01
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1549471.html