Crystallography Open Database

Information card for entry 4125118

Preview

Coordinates	4125118.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H63 N Si4
Calculated formula	C32 H63 N Si4
SMILES	N1(C(CC2(CCCCC2)C1[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)(C)C)c1c(cccc1C(C)C)C(C)C
Title of publication	Reactions of Persistent Carbenes with Hydrogen-Terminated Silicon Surfaces.
Authors of publication	Zhukhovitskiy, Aleksandr V.; Mavros, Michael G.; Queeney, K. T.; Wu, Tony; Voorhis, Troy Van; Johnson, Jeremiah A.
Journal of publication	Journal of the American Chemical Society
Year of publication	2016
Journal volume	138
Journal issue	27
Pages of publication	8639 - 8652
a	12.4987 ± 0.0005 Å
b	16.0655 ± 0.0007 Å
c	17.6184 ± 0.0007 Å
α	90°
β	94.9451 ± 0.0009°
γ	90°
Cell volume	3524.6 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
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	0.0339
Residual factor for significantly intense reflections	0.0286
Weighted residual factors for significantly intense reflections	0.0749
Weighted residual factors for all reflections included in the refinement	0.0784
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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
187904 (current)	2016-11-06	cif/ Updating files of 4125116, 4125117, 4125118, 4125119 Original log message: Adding full bibliography for 4125116--4125119.cif.	4125118.cif
184131	2016-07-02	cif/ Adding structures of 4125118 via cif-deposit CGI script.	4125118.cif