Crystallography Open Database

Information card for entry 4326384

Preview

Coordinates	4326384.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40.5 H53 N3 O
Calculated formula	C40.5 H53 N3 O
Title of publication	Thermodynamic, Kinetic, and Mechanistic Study of Oxygen Atom Transfer from Mesityl Nitrile Oxide to Phosphines and to a Terminal Metal Phosphido Complex
Authors of publication	Xiaochen Cai; Subhojit Majumdar; George C. Fortman; Luis Manuel Frutos; Manuel Temprado; Christopher R. Clough; Christopher C. Cummins; Meaghan E. Germain; Taryn Palluccio; Elena V. Rybak-Akimova; Burjor Captain; Carl D. Hoff
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	9620 - 9630
a	17.351 ± 0.0017 Å
b	12.9808 ± 0.0013 Å
c	16.5439 ± 0.0016 Å
α	90°
β	96.425 ± 0.002°
γ	90°
Cell volume	3702.8 ± 0.6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1531
Residual factor for significantly intense reflections	0.0746
Weighted residual factors for significantly intense reflections	0.2089
Weighted residual factors for all reflections included in the refinement	0.2708
Goodness-of-fit parameter for all reflections included in the refinement	1.02
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.	4326384.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4326384.cif
48548	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 4326384 via cif-deposit CGI script.	4326384.cif