Crystallography Open Database

Information card for entry 7023434

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Structure parameters

Formula	C139.75 H115.75 Ag6 Cl5.25 N12
Calculated formula	C139.75 H115.75 Ag6 Cl5.25 N12
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	29.531 ± 0.006 Å
b	17.782 ± 0.004 Å
c	25.286 ± 0.005 Å
α	90°
β	112.31 ± 0.03°
γ	90°
Cell volume	12284 ± 5 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0808
Residual factor for significantly intense reflections	0.0655
Weighted residual factors for significantly intense reflections	0.1308
Weighted residual factors for all reflections included in the refinement	0.1419
Goodness-of-fit parameter for all reflections included in the refinement	1.08
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
301848 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 7/02/ Each referenced PubChem compound corresponds to the full crystal structure.	7023434.cif
179939	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.	7023434.cif
90532	2013-11-18	cif/ Adding structures of 7023433, 7023434, 7023435 via cif-deposit CGI script.	7023434.cif