Crystallography Open Database

Information card for entry 7023435

Preview

Coordinates	7023435.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C128 H92 Ag6 Cl6 N12 S8
Calculated formula	C128 H92 Ag6 Cl6 N12 S8
Title of publication	Trigonal prismatic Cu(i) and Ag(i) pyrazolato nanocage hosts: encapsulation of S8 and hydrocarbon guests.
Authors of publication	Duan, Peng-Cheng; Wang, Zhao-Yang; Chen, Jing-Huo; Yang, Guang; Raptis, Raphael G.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	42
Pages of publication	14951 - 14954
a	17.177 ± 0.003 Å
b	17.497 ± 0.004 Å
c	24.759 ± 0.005 Å
α	89.38 ± 0.03°
β	71 ± 0.03°
γ	60.76 ± 0.03°
Cell volume	6039 ± 3 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 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	0.1383
Residual factor for significantly intense reflections	0.0934
Weighted residual factors for significantly intense reflections	0.1647
Weighted residual factors for all reflections included in the refinement	0.1851
Goodness-of-fit parameter for all reflections included in the refinement	1.081
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
179939 (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 7/02/34.	7023435.cif
90532	2013-11-18	cif/ Adding structures of 7023433, 7023434, 7023435 via cif-deposit CGI script.	7023435.cif