Crystallography Open Database

Information card for entry 7029462

Preview

Coordinates	7029462.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C98 H98 Au6 F12 N2 O4 P8
Calculated formula	C98 H98 Au6 F12 N2 O4 P8
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	16.2957 ± 0.0009 Å
b	18.2873 ± 0.001 Å
c	18.9512 ± 0.001 Å
α	90°
β	91.857 ± 0.002°
γ	90°
Cell volume	5644.6 ± 0.5 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	7
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.106
Residual factor for significantly intense reflections	0.0789
Weighted residual factors for significantly intense reflections	0.1808
Weighted residual factors for all reflections included in the refinement	0.1977
Goodness-of-fit parameter for all reflections included in the refinement	1.078
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
180000 (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 7/02/94.	7029462.cif
108312	2014-03-30	cif/ Adding structures of 7029462, 7029463 via cif-deposit CGI script.	7029462.cif