Crystallography Open Database

Information card for entry 4110372

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Structure parameters

Chemical name	borylsilyl anion
Formula	C51 H107 B Li N O6 Si4
Calculated formula	C51 H107 B Li N O6 Si4
Title of publication	A Stable Silaborene: Synthesis and Characterization
Authors of publication	Norio Nakata; Akira Sekiguchi
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
Journal volume	128
Pages of publication	422 - 423
a	12.237 ± 0.0006 Å
b	28.065 ± 0.0013 Å
c	17.929 ± 0.0005 Å
α	90°
β	95.189 ± 0.003°
γ	90°
Cell volume	6132.1 ± 0.4 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0996
Residual factor for significantly intense reflections	0.0678
Weighted residual factors for significantly intense reflections	0.1823
Weighted residual factors for all reflections included in the refinement	0.2046
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301833 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/11/ Each referenced PubChem compound corresponds to the full crystal structure.	4110372.cif
178874	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/03.	4110372.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4110372.cif
59168	2012-06-04	cif/ Adding structures of 4110372 via cif-deposit CGI script.	4110372.cif