Crystallography Open Database

Information card for entry 7705306

Preview

Coordinates	7705306.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Mo(NtBu)2(tBu2DAD)]
Chemical name	1,4-ditertbutyl-1,4-diazabutadienyl-bis(tertbutylimido)molybdenum(VI)
Formula	C18 H38 Mo N4
Calculated formula	C18 H38 Mo N4
Title of publication	A new metalorganic chemical vapor deposition process for MoS<sub>2</sub> with a 1,4-diazabutadienyl stabilized molybdenum precursor and elemental sulfur.
Authors of publication	Wree, Jan-Lucas; Ciftyurek, Engin; Zanders, David; Boysen, Nils; Kostka, Aleksander; Rogalla, Detlef; Kasischke, Maren; Ostendorf, Andreas; Schierbaum, Klaus; Devi, Anjana
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	38
Pages of publication	13462 - 13474
a	10.3048 ± 0.0002 Å
b	10.5005 ± 0.0003 Å
c	20.7712 ± 0.0005 Å
α	90°
β	93.033 ± 0.002°
γ	90°
Cell volume	2244.41 ± 0.09 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.032
Residual factor for significantly intense reflections	0.0307
Weighted residual factors for significantly intense reflections	0.0829
Weighted residual factors for all reflections included in the refinement	0.0838
Goodness-of-fit parameter for all reflections included in the refinement	1.079
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
258864 (current)	2020-11-06	cif/ Updating files of 7705306 Original log message: Adding full bibliography for 7705306.cif.	7705306.cif
255727	2020-08-29	cif/ Adding structures of 7705306 via cif-deposit CGI script.	7705306.cif