Crystallography Open Database

Information card for entry 4131416

Preview

Coordinates	4131416.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57 H70 B F15 N3 Si5
Calculated formula	C57 H70 B F15 N3 Si5
Title of publication	From Si(II) to Si(IV) and Back: Reversible Intramolecular Carbon-Carbon Bond Activation by an Acyclic Iminosilylene.
Authors of publication	Wendel, Daniel; Porzelt, Amelie; Herz, Fabian A. D.; Sarkar, Debotra; Jandl, Christian; Inoue, Shigeyoshi; Rieger, Bernhard
Journal of publication	Journal of the American Chemical Society
Year of publication	2017
Journal volume	139
Journal issue	24
Pages of publication	8134 - 8137
a	12.8285 ± 0.0006 Å
b	22.1079 ± 0.0009 Å
c	21.956 ± 0.0011 Å
α	90°
β	95.129 ± 0.002°
γ	90°
Cell volume	6202 ± 0.5 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
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	0.0535
Residual factor for significantly intense reflections	0.0396
Weighted residual factors for significantly intense reflections	0.0817
Weighted residual factors for all reflections included in the refinement	0.0866
Goodness-of-fit parameter for all reflections included in the refinement	1.082
Diffraction radiation probe	x-ray
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
241623 (current)	2019-11-25	cif/ Adding structures of 4131415, 4131416, 4131417 via cif-deposit CGI script.	4131416.cif