Crystallography Open Database

Information card for entry 7029463

Preview

Coordinates	7029463.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C260.47 H224.7 Au12 Cl8.95 F24 N4 P16
Calculated formula	C260.444 H224.648 Au12 Cl8.888 F24 N4 P16
Title of publication	Metallophilicity-assisted assembly of phosphine-based cage molecules.
Authors of publication	Shakirova, Julia R.; Grachova, Elena V.; Karttunen, Antti J.; Gurzhiy, Vladislav V.; Tunik, Sergey P.; Koshevoy, Igor O.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	16
Pages of publication	6236 - 6243
a	30.2941 ± 0.0017 Å
b	34.3378 ± 0.0019 Å
c	26.6065 ± 0.0015 Å
α	90°
β	99.732 ± 0.001°
γ	90°
Cell volume	27279 ± 3 Å³
Cell temperature	210 ± 2 K
Ambient diffraction temperature	210 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1276
Residual factor for significantly intense reflections	0.0677
Weighted residual factors for significantly intense reflections	0.1993
Weighted residual factors for all reflections included in the refinement	0.2263
Goodness-of-fit parameter for all reflections included in the refinement	0.987
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7029463.cif
108312	2014-03-30	cif/ Adding structures of 7029462, 7029463 via cif-deposit CGI script.	7029463.cif