Crystallography Open Database

Information card for entry 1549474

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Structure parameters

Formula	C71 H78 B2 Cl4 K N O6
Calculated formula	C71 H78 B2 Cl4 K N O6
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	15.4096 ± 0.0014 Å
b	23.693 ± 0.002 Å
c	19.0628 ± 0.0017 Å
α	90°
β	112.948 ± 0.0011°
γ	90°
Cell volume	6409 ± 1 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 K
Number of distinct elements	7
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	0.0805
Residual factor for significantly intense reflections	0.0543
Weighted residual factors for significantly intense reflections	0.1549
Weighted residual factors for all reflections included in the refinement	0.1724
Goodness-of-fit parameter for all reflections included in the refinement	1.074
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
301779 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure.	1549474.cif
228624	2019-11-17	cif/ Updating files of 1549471, 1549472, 1549473, 1549474 Original log message: Adding full bibliography for 1549471--1549474.cif.	1549474.cif
208008	2018-05-29	cif/ Adding structures of 1549471, 1549472, 1549473, 1549474 via cif-deposit CGI script.	1549474.cif