Crystallography Open Database

Information card for entry 4316793

Preview

Coordinates	4316793.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Tp(iPr)MoO2(OC6H4CONH(C6H4Cl-4)-2)
Formula	C62 H74 B2 Cl2 Mo2 N14 O8
Calculated formula	C61.986 H73.958 B2 Cl2 Mo2 N14 O8
Title of publication	cis-Dioxo- and cis-(Hydroxo)oxo-Mo(V) Complexes Stabilized by Intramolecular Hydrogen-Bonding
Authors of publication	Victor W. L. Ng; Michelle K. Taylor; Jonathan M. White; Charles G. Young
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	9460 - 9469
a	12.287 ± 0.005 Å
b	15.054 ± 0.005 Å
c	18.663 ± 0.005 Å
α	96.058 ± 0.005°
β	95.106 ± 0.005°
γ	98.953 ± 0.005°
Cell volume	3371 ± 2 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0481
Residual factor for significantly intense reflections	0.0397
Weighted residual factors for significantly intense reflections	0.0954
Weighted residual factors for all reflections included in the refinement	0.0985
Goodness-of-fit parameter for all reflections included in the refinement	0.963
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
179247 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/67.	4316793.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4316793.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4316793.cif
10299	2011-02-11	../uploads/cif-deposit/cod/cif Adding structures of 4316793 via cif-deposit CGI script.	4316793.cif