Crystallography Open Database

Information card for entry 7008120

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Coordinates	7008120.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H48 Mo2 N7 O S4
Calculated formula	C45 H48 Mo2 N7 O S4
Title of publication	Regioselective and reversible carbon-nitrogen bond formation: synthesis, structure and reactivity of ureato-bridged complexes [Mo2(NAr)2(mu-X){mu-ArNC(O)NAr}(S2CNR2)2](Ar = Ph, p-tol; X = S, NAr; R = Me, Et, Pr).
Authors of publication	Hogarth, Graeme; Richards, Idris
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2005
Journal issue	4
Pages of publication	760 - 773
a	35.949 ± 0.002 Å
b	16.175 ± 0.0011 Å
c	17.8306 ± 0.0012 Å
α	90°
β	112.957 ± 0.001°
γ	90°
Cell volume	9546.9 ± 1.1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1573
Residual factor for significantly intense reflections	0.0804
Weighted residual factors for significantly intense reflections	0.1942
Weighted residual factors for all reflections included in the refinement	0.2296
Goodness-of-fit parameter for all reflections included in the refinement	1.055
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
179785 (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 7/00/81.	7008120.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7008120.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7008120.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7008120.cif