Crystallography Open Database

Information card for entry 4075882

Preview

Coordinates	4075882.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39.5 H49 Mo N5 Si2
Calculated formula	C39.5 H49 Mo N5 Si2
Title of publication	Synthesis and Reactivity of Molybdenum(IV) Complexes with Alkyl and Aryl Isocyanides
Authors of publication	Ison, Elon A.; Ortiz, Carlos O.; Abboud, Khalil; Boncella, James M.
Journal of publication	Organometallics
Year of publication	2005
Journal volume	24
Journal issue	26
Pages of publication	6310
a	11.5484 ± 0.0009 Å
b	11.8609 ± 0.0009 Å
c	14.8731 ± 0.0012 Å
α	102.802 ± 0.002°
β	93.928 ± 0.002°
γ	94.868 ± 0.002°
Cell volume	1971.4 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.052
Residual factor for significantly intense reflections	0.0349
Weighted residual factors for significantly intense reflections	0.0758
Weighted residual factors for all reflections included in the refinement	0.0788
Goodness-of-fit parameter for all reflections included in the refinement	0.915
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4075882.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4075882.cif
50724	2012-03-31	../uploads/cif-deposit/cod/cif Adding structures of 4075882, 4075883, 4075884 via cif-deposit CGI script.	4075882.cif