Crystallography Open Database

Information card for entry 7114898

Preview

Coordinates	7114898.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	1
Formula	C112 H78 Au2 F12 Hg N8 P8
Calculated formula	C112 H78 Au2 F12 Hg N8 P8
Title of publication	A linearly coordinated Hg(0) trapped in a gold(i) metallocryptand cage
Authors of publication	Catalano, Vincent J.; Malwitz, Mark A.; Noll, Bruce C.
Journal of publication	Chemical Communications
Year of publication	2001
Journal issue	6
Pages of publication	581
a	17.6778 ± 0.0005 Å
b	29.5895 ± 0.0009 Å
c	19.4103 ± 0.0006 Å
α	90°
β	91.686 ± 0.001°
γ	90°
Cell volume	10148.7 ± 0.5 Å³
Cell temperature	143 ± 2 K
Ambient diffraction temperature	143 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0819
Residual factor for significantly intense reflections	0.0487
Weighted residual factors for significantly intense reflections	0.1097
Weighted residual factors for all reflections included in the refinement	0.1189
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
180262 (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 7/11/48.	7114898.cif
118405	2014-06-30	cif/ Adding structures of 7114898 via cif-deposit CGI script.	7114898.cif