Crystallography Open Database

Information card for entry 4083342

Preview

Coordinates	4083342.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H40 F3 N2 O4 S Ti
Calculated formula	C36 H40 F3 N2 O4 S Ti
Title of publication	Functionalization of Complexed N2O in Bis(pentamethylcyclopentadienyl) Systems of Zirconium and Titanium.
Authors of publication	Mindiola, Daniel J.; Watson, Lori A.; Meyer, Karsten; Hillhouse, Gregory L.
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	11
Pages of publication	2760 - 2769
a	9.9259 ± 0.0009 Å
b	13.1748 ± 0.0012 Å
c	13.6486 ± 0.0012 Å
α	88.03 ± 0.002°
β	71.853 ± 0.002°
γ	80.802 ± 0.002°
Cell volume	1674 ± 0.3 Å³
Cell temperature	373 ± 2 K
Ambient diffraction temperature	373 ± 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	0.0838
Residual factor for significantly intense reflections	0.0602
Weighted residual factors for significantly intense reflections	0.1485
Weighted residual factors for all reflections included in the refinement	0.1581
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
178722 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/33.	4083342.cif
119261	2014-07-05	cif/ Updating files of 4083340, 4083341, 4083342 Original log message: Adding full bibliography for 4083340--4083342.cif.	4083342.cif
114313	2014-05-23	cif/ Adding structures of 4083340, 4083341, 4083342 via cif-deposit CGI script.	4083342.cif