Crystallography Open Database

Information card for entry 7029339

Preview

Coordinates	7029339.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H60 Ag4 N27 O64 P2 W18
Calculated formula	C36 H54 Ag4 N27 O64 P2 W18
Title of publication	Three 3D silver-bis(triazole) metal-organic frameworks stabilized by high-connected Wells-Dawson polyoxometallates.
Authors of publication	Wang, Xiuli; Zhao, Dan; Tian, Aixiang; Ying, Jun
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	13
Pages of publication	5211 - 5220
a	14.5056 ± 0.0008 Å
b	14.8981 ± 0.0008 Å
c	22.9934 ± 0.0013 Å
α	90.534 ± 0.001°
β	92.844 ± 0.001°
γ	104.153 ± 0.001°
Cell volume	4811.1 ± 0.5 Å³
Cell temperature	187 ± 2 K
Ambient diffraction temperature	187 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.094
Residual factor for significantly intense reflections	0.0849
Weighted residual factors for significantly intense reflections	0.2343
Weighted residual factors for all reflections included in the refinement	0.2452
Goodness-of-fit parameter for all reflections included in the refinement	1.056
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
179999 (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 7/02/93.	7029339.cif
107124	2014-03-17	cif/ Adding structures of 7029337, 7029338, 7029339 via cif-deposit CGI script.	7029339.cif