Crystallography Open Database

Information card for entry 4341125

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Structure parameters

Common name	Mo(ONO)2
Chemical name	Bis(bis(3,5-di-tert-butyl-2-oxyphenyl)amido)molybdenum(VI)
Formula	C56 H80 Mo N2 O4
Calculated formula	C56 H80 Mo N2 O4
Title of publication	Metal and Ligand Effects on Bonding in Group 6 Complexes of Redox-Active Amidodiphenoxides
Authors of publication	Ranis, Leila G.; Werellapatha, Kalpani; Pietrini, Nicholas J.; Bunker, Bruce A.; Brown, Seth N.
Journal of publication	Inorganic Chemistry
Year of publication	2014
Pages of publication	140923084651005
a	11.5456 ± 0.0012 Å
b	12.057 ± 0.0013 Å
c	20.4771 ± 0.002 Å
α	82.951 ± 0.006°
β	74.123 ± 0.005°
γ	76.035 ± 0.006°
Cell volume	2655.8 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0873
Residual factor for significantly intense reflections	0.0508
Weighted residual factors for significantly intense reflections	0.1099
Weighted residual factors for all reflections included in the refinement	0.125
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
301840 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure.	4341125.cif
179514	2016-03-23	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/11.	4341125.cif
124108	2014-09-23	cif/ Adding structures of 4341124, 4341125, 4341126, 4341127, 4341128, 4341129 via cif-deposit CGI script.	4341125.cif