Crystallography Open Database

Information card for entry 4130842

Preview

Coordinates	4130842.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H46 As2 D12 N4 Si2
Calculated formula	C42 H46 As2 D12 N4 Si2
SMILES	[As]1=[Si]2([N](=C(c3ccccc3)N2C(C)(C)C)C(C)(C)C)[As]=[Si]21[N](=C(c1ccccc1)N2C(C)(C)C)C(C)(C)C.c1(c(c(c(c(c1[2H])[2H])[2H])[2H])[2H])[2H].c1(c(c(c(c(c1[2H])[2H])[2H])[2H])[2H])[2H]
Title of publication	Pnictogen-Silicon Analogues of Benzene.
Authors of publication	Seitz, Andreas E.; Eckhardt, Maria; Erlebach, Andreas; Peresypkina, Eugenia V.; Sierka, Marek; Scheer, Manfred
Journal of publication	Journal of the American Chemical Society
Year of publication	2016
Journal volume	138
Journal issue	33
Pages of publication	10433 - 10436
a	9.29 ± 0.0006 Å
b	9.9536 ± 0.0006 Å
c	12.5142 ± 0.0008 Å
α	69.954 ± 0.006°
β	77.338 ± 0.005°
γ	86.516 ± 0.005°
Cell volume	1060.5 ± 0.12 Å³
Cell temperature	123 ± 1 K
Ambient diffraction temperature	123 ± 1 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0307
Residual factor for significantly intense reflections	0.0275
Weighted residual factors for significantly intense reflections	0.0765
Weighted residual factors for all reflections included in the refinement	0.0791
Goodness-of-fit parameter for all reflections included in the refinement	1.143
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
241201 (current)	2019-11-25	cif/ Adding structures of 4130842 via cif-deposit CGI script.	4130842.cif