Crystallography Open Database

Information card for entry 7008999

Preview

Coordinates	7008999.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H42 Mo N4 O2 Si2
Calculated formula	C24 H42 Mo N4 O2 Si2
SMILES	[Mo]12(=O)(=O)(N([Si](C)(C)C(C)(C)C)c3[n]1c(ccc3)C)N([Si](C)(C)C(C)(C)C)c1[n]2c(ccc1)C
Title of publication	Synthesis and structures of dioxo-Mo(VI) and -W(VI) amides
Authors of publication	Kay Lee, Hung; Wong, Yee-Lok; Zhou, Zhong-Yuan; Zhang, Ze-Ying; Ng, Dennis K. P.; Mak, Thomas C. W.
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2000
Journal issue	4
Pages of publication	539
a	16.342 ± 0.003 Å
b	16.007 ± 0.003 Å
c	22.218 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	5811.9 ± 1.8 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0916
Residual factor for significantly intense reflections	0.0744
Weighted residual factors for significantly intense reflections	0.1887
Weighted residual factors for all reflections included in the refinement	0.2051
Goodness-of-fit parameter for all reflections included in the refinement	1.095
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
179793 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/89.	7008999.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7008999.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7008999.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7008999.cif