Crystallography Open Database

Information card for entry 7026830

Preview

Coordinates	7026830.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H28 Br2 F10 O P2
Calculated formula	C30 H28 Br2 F10 O P2
Title of publication	CH-anion versus anion-π interactions in the crystal and in solution of pentafluorobenzyl phosphonium salts.
Authors of publication	Müller, Michael; Albrecht, Markus; Sackmann, Johannes; Hoffmann, Andreas; Dierkes, Fiete; Valkonen, Arto; Rissanen, Kari
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	47
Pages of publication	11329 - 11334
a	11.8147 ± 0.0004 Å
b	12.0612 ± 0.0003 Å
c	14.5634 ± 0.0005 Å
α	94.048 ± 0.002°
β	110.887 ± 0.002°
γ	118.155 ± 0.002°
Cell volume	1636.06 ± 0.11 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0789
Residual factor for significantly intense reflections	0.0481
Weighted residual factors for significantly intense reflections	0.0848
Weighted residual factors for all reflections included in the refinement	0.0947
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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
179974 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/68.	7026830.cif
93614	2014-01-13	cif/ Adding structures of 7026830, 7026831, 7026832 via cif-deposit CGI script.	7026830.cif