Crystallography Open Database

Information card for entry 7020936

7020935 << 7020936 >> 7020937

Preview

Coordinates	7020936.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H29 B F27 O P
Calculated formula	C48 H28.9999 B F27 O P
Title of publication	Small molecule activation by frustrated Lewis pairs.
Authors of publication	Travis, Alastair L.; Binding, Samantha C.; Zaher, Hasna; Arnold, Thomas A. Q.; Buffet, Jean-Charles; O'Hare, Dermot
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	7
Pages of publication	2431 - 2437
a	16.0095 ± 0.0003 Å
b	16.0095 ± 0.0003 Å
c	15.8189 ± 0.0004 Å
α	90°
β	90°
γ	120°
Cell volume	3511.26 ± 0.13 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	6
Space group number	146
Hermann-Mauguin space group symbol	R 3 :H
Hall space group symbol	R 3
Residual factor for all reflections	0.0719
Residual factor for significantly intense reflections	0.0421
Weighted residual factors for all reflections	0.1056
Weighted residual factors for significantly intense reflections	0.0817
Weighted residual factors for all reflections included in the refinement	0.1056
Goodness-of-fit parameter for all reflections included in the refinement	0.9714
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7020936.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7020936.cif
73718	2013-02-21	cif/ Adding structures of 7020936 via cif-deposit CGI script.	7020936.cif