Crystallography Open Database

Information card for entry 4075881

Preview

Coordinates	4075881.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H25 B F15 N
Calculated formula	C36 H24.55 B F15 N
Title of publication	Synthesis and Characterization of the New Alkyl Borates [RB(C6F5)3]-(R = CH2Me, CHMe2, CH2CMe3): Utilization of [Me3CCH2B(C6F5)3]-as a Weakly Coordinating Counteranion during Zirconocene-Induced Catalysis of Propylene Polymerization
Authors of publication	Bavarian, Neda; Baird, Michael C.
Journal of publication	Organometallics
Year of publication	2005
Journal volume	24
Journal issue	12
Pages of publication	2889
a	8.332 ± 0.006 Å
b	13.691 ± 0.01 Å
c	28.59 ± 0.02 Å
α	90°
β	90.57 ± 0.013°
γ	90°
Cell volume	3261 ± 4 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1628
Residual factor for significantly intense reflections	0.0634
Weighted residual factors for significantly intense reflections	0.1324
Weighted residual factors for all reflections included in the refinement	0.1571
Goodness-of-fit parameter for all reflections included in the refinement	0.843
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
178647 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/58.	4075881.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4075881.cif
50723	2012-03-31	../uploads/cif-deposit/cod/cif Adding structures of 4075881 via cif-deposit CGI script.	4075881.cif