Crystallography Open Database

Information card for entry 7246426

Preview

Coordinates	7246426.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H28 Cl2 Mo N2 O2
Calculated formula	C12 H28 Cl2 Mo N2 O2
SMILES	[Mo]1(Cl)(Cl)([O](CC[O]1C)C)(=NC(C)(C)C)=NC(C)(C)C
Title of publication	Disturbance of intermolecular forces: eutectics as a new tool for the preparation of vapor-phase deposition precursors.
Authors of publication	Land, Michael A.; Robertson, Katherine N.; Clyburne, Jason A. C.; Barry, Seán T
Journal of publication	Physical chemistry chemical physics : PCCP
Year of publication	2023
Journal volume	25
Journal issue	12
Pages of publication	8336 - 8340
a	27.6725 ± 0.0006 Å
b	27.6725 ± 0.0006 Å
c	12.4913 ± 0.0004 Å
α	90°
β	90°
γ	120°
Cell volume	8283.9 ± 0.4 Å³
Cell temperature	125 ± 2 K
Ambient diffraction temperature	125 ± 2 K
Number of distinct elements	6
Space group number	161
Hermann-Mauguin space group symbol	R 3 c :H
Hall space group symbol	R 3 -2"c
Residual factor for all reflections	0.0352
Residual factor for significantly intense reflections	0.0232
Weighted residual factors for significantly intense reflections	0.0424
Weighted residual factors for all reflections included in the refinement	0.0489
Goodness-of-fit parameter for all reflections included in the refinement	1.165
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
283510 (current)	2023-05-05	cif/ Updating files of 7246426, 7246427, 7246428 Original log message: Adding full bibliography for 7246426--7246428.cif.	7246426.cif
281825	2023-03-11	cif/ Adding structures of 7246426, 7246427, 7246428 via cif-deposit CGI script.	7246426.cif