Crystallography Open Database

Information card for entry 7041549

Preview

Coordinates	7041549.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	MoO2(R-AMD)2 (AMD = N,N?-di-R-acetamidinate) R = cyclohexyl
Formula	C28 H50 Mo N4 O2
Calculated formula	C28 H50 Mo N4 O2
SMILES	[Mo]12(=O)([N](=C(C)N2C2CCCCC2)C2CCCCC2)(=O)[N](C2CCCCC2)=C(N1C1CCCCC1)C
Title of publication	Second-generation hexavalent molybdenum oxo-amidinate precursors for atomic layer deposition.
Authors of publication	Jurca, T.; Peters, A. W.; Mouat, A. R.; Farha, O. K.; Hupp, J. T.; Lohr, T. L.; Delferro, M.; Marks, T. J.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2017
Journal volume	46
Journal issue	4
Pages of publication	1172 - 1178
a	11.4715 ± 0.0002 Å
b	11.6621 ± 0.0002 Å
c	21.5619 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	2884.59 ± 0.1 Å³
Cell temperature	100 K
Ambient diffraction temperature	100.06 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0745
Residual factor for significantly intense reflections	0.0491
Weighted residual factors for significantly intense reflections	0.1172
Weighted residual factors for all reflections included in the refinement	0.1336
Goodness-of-fit parameter for all reflections included in the refinement	0.79
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
191608 (current)	2017-02-04	cif/ Updating files of 7041548, 7041549 Original log message: Adding full bibliography for 7041548--7041549.cif.	7041549.cif
189348	2016-12-23	cif/ Adding structures of 7041548, 7041549 via cif-deposit CGI script.	7041549.cif