Crystallography Open Database

Information card for entry 7708958

Preview

Coordinates	7708958.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H61 Mg N3 O Si
Calculated formula	C42 H61 Mg N3 O Si
SMILES	[Si](O[Mg]1([N](=C(C)C=C(N1c1c(cccc1C(C)C)C(C)C)C)c1c(cccc1C(C)C)C(C)C)C#[N]C(C)(C)C)(c1ccccc1)(C)C
Title of publication	Isocyanate deoxygenation by a molecular magnesium silanide.
Authors of publication	Okokhere-Edeghoghon, Bibian; Neale, Samuel E.; Hill, Michael S.; Mahon, Mary F.; McMullin, Claire L.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	51
Journal issue	1
Pages of publication	136 - 144
a	11.6235 ± 0.0001 Å
b	17.5314 ± 0.0001 Å
c	20.1961 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	4115.49 ± 0.05 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0315
Residual factor for significantly intense reflections	0.0306
Weighted residual factors for significantly intense reflections	0.0844
Weighted residual factors for all reflections included in the refinement	0.0853
Goodness-of-fit parameter for all reflections included in the refinement	1.02
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
272661 (current)	2022-02-04	cif/ Updating files of 7708958, 7708959, 7708960 Original log message: Adding full bibliography for 7708958--7708960.cif.	7708958.cif
270923	2021-11-30	cif/ Adding structures of 7708958, 7708959, 7708960 via cif-deposit CGI script.	7708958.cif