Crystallography Open Database

Information card for entry 5000303

Preview

No preview available: file is not found.

Coordinates	Coordinates are not available: file is not found.
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H27 Mo N S3
Calculated formula	C12 H27 Mo N S3
SMILES	[Mo](SC(C)(C)C)(SC(C)(C)C)(SC(C)(C)C)#N
Title of publication	Tristhiolatomolybdenum Nitrides, (RS)3Mo\τbN Where R =iPr and tBu, Preparation, Characterization and Comparisons with Related Trialkoxymolybdenumnitrides
Authors of publication	Malcolm H. Chisholm; Ernest R. Davidson; Maren Pink; Kristine B. Quinlan
Journal of publication	Inorganic Chemistry
Year of publication	2002
Journal volume	41
Pages of publication	3437 - 3443
a	20.9412 ± 0.0007 Å
b	20.7953 ± 0.0007 Å
c	17.6252 ± 0.0006 Å
α	90°
β	107.929 ± 0.001°
γ	90°
Cell volume	7302.7 ± 0.4 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	5
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	0.0991
Residual factor for significantly intense reflections	0.0405
Weighted residual factors for significantly intense reflections	0.0658
Weighted residual factors for all reflections included in the refinement	0.0772
Goodness-of-fit parameter for all reflections included in the refinement	0.911
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Version history is temporarily not available due to server issues.