Crystallography Open Database

Information card for entry 7112814

Preview

Coordinates	7112814.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H75 B2 Br F18 O P2 Pt
Calculated formula	C60 H75 B2 Br F18 O P2 Pt
Title of publication	Reactivity of an oxoboryl complex toward fluorinated aryl boron reagents.
Authors of publication	Braunschweig, Holger; Radacki, Krzysztof; Schneider, Achim
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2010
Journal volume	46
Journal issue	35
Pages of publication	6473 - 6475
a	13.507 ± 0.004 Å
b	13.589 ± 0.004 Å
c	18.517 ± 0.006 Å
α	84.383 ± 0.014°
β	88.103 ± 0.013°
γ	80.059 ± 0.012°
Cell volume	3331.2 ± 1.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0292
Residual factor for significantly intense reflections	0.0248
Weighted residual factors for significantly intense reflections	0.0583
Weighted residual factors for all reflections included in the refinement	0.0608
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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
180242 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/28.	7112814.cif
112104	2014-04-29	cif/ Adding structures of 7112813, 7112814, 7112815 via cif-deposit CGI script.	7112814.cif