Crystallography Open Database

Information card for entry 7226549

Preview

Coordinates	7226549.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H60 Co2 Mo10 N18 O56 Zn3
Calculated formula	C12 H18 Co2 Mo10 N18 O56 Zn3
SMILES	c1[n]2[n](c[nH]1)[Zn]134([n]5c[nH]c[n]5[Zn]2([OH2])([OH2])([OH2])[n]2c[nH]c[n]42)[n]2c[nH]c[n]2[Zn]([n]2c[nH]c[n]12)([n]1c[nH]c[n]31)([OH2])([OH2])[OH2].[O]123[Co]4567[O]89[Mo]%10%11(=O)([O]%124[Co]4%13%141[O]1%10[Mo]38(=O)(=O)O[Mo]39(O[Mo]8(O[Mo]9(=O)([O]58)(=O)[O]57[Mo]%12([O]74[Mo]25(=O)(=O)O[Mo]27(O[Mo]4(O[Mo]1(=O)([O]%134)(=O)O%11)(=O)(=O)[O]%142)(=O)=O)(=O)(=O)O9)(=O)(=O)[O]63)(=O)=O)=O.O.O.O.O.O.O.O.O.O.O.O.O
Title of publication	Syntheses, structures and catalytic properties of organic‒inorganic hybrid materials constructed from Evans−Showell-type polyoxometalates and zinc-organic coordination units
Authors of publication	Fei, Fei; An, Haiyan; Xu, Tieqi; Meng, Changgong
Journal of publication	RSC Adv.
Year of publication	2016
a	15.368 ± 0.004 Å
b	16.952 ± 0.004 Å
c	25.834 ± 0.006 Å
α	90°
β	99.678 ± 0.003°
γ	90°
Cell volume	6634 ± 3 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0831
Residual factor for significantly intense reflections	0.0702
Weighted residual factors for significantly intense reflections	0.146
Weighted residual factors for all reflections included in the refinement	0.151
Goodness-of-fit parameter for all reflections included in the refinement	1.199
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
186561 (current)	2016-09-14	cif/ Adding structures of 7226546, 7226547, 7226548, 7226549 via cif-deposit CGI script.	7226549.cif