Crystallography Open Database

Information card for entry 7212713

Preview

Coordinates	7212713.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H43 Mo12 N5 O40 P Zn4
Calculated formula	C22 H43 Mo12 N5 O40 P Zn4
Title of publication	Zeolitic polyoxometalates metal organic frameworks (Z-POMOF) with imidazole ligands and epsilon-Keggin ions as building blocks; computational evaluation of hypothetical polymorphs and a synthesis approach.
Authors of publication	Rodriguez Albelo, L. Marleny; Ruiz-Salvador, A Rabdel; Lewis, Dewi W.; Gómez, Ariel; Mialane, Pierre; Marrot, Jérome; Dolbecq, Anne; Sampieri, Alvaro; Mellot-Draznieks, Caroline
Journal of publication	Physical chemistry chemical physics : PCCP
Year of publication	2010
Journal volume	12
Journal issue	30
Pages of publication	8632 - 8639
a	16.8676 ± 0.0018 Å
b	22.335 ± 0.002 Å
c	40.007 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	15072 ± 3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0504
Residual factor for significantly intense reflections	0.0428
Weighted residual factors for significantly intense reflections	0.148
Weighted residual factors for all reflections included in the refinement	0.1528
Goodness-of-fit parameter for all reflections included in the refinement	1.158
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
180458 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/27.	7212713.cif
93244	2014-01-12	cif/ Adding structures of 7212713 via cif-deposit CGI script.	7212713.cif