Crystallography Open Database

Information card for entry 7100233

Preview

Coordinates	7100233.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H106 K8 Na10 O180 P4 W32 Zr4
Calculated formula	C8 H6 K5 Na7 O169.5 P4 W32 Zr4
SMILES	[W]1234(=O)O[W]567(=O)O[W]89(=O)(O1)[O]25P12=[O]5[W]%10%11(O6)(=O)O[W]65(O8)(=O)O[W]58(O9)(=O)O[W]9(O3)(=O)(O[W]3%12(O4)(=O)O[W](O7)(=O)(O%10)([O]23)O[W]234(=O)O[W]7%10(O%12)(=O)O[W]%12%13(O9)(=O)O[W]9%14(O8)(=O)O[W]8%15(O6)(=O)O[W]6(O%11)(=O)(O2)[O]8=P([O]%129)([O]37)[O]2[W]3(O%13)(O%10)(=[O][Zr]782([O]2[Zr]9%10%11%12(OC([C@H]2CC(=O)O9)=O)[O]8[Zr]289%13([O]%16[Zr]%17(OC(=O)[C@H]%16CC(=O)[O]%17)([O]=6)([O]=4)([O]72)[O]=3)[O]=[W]23(=[O]%10)(=O)[O]8P46=[O]7[W]8%10(O2)(=O)O[W]27(=[O]%11)(=O)O[W]7%11(=[O]%12)(=O)O[W]%12(=[O]9)(=O)(O[W]9%16(=[O]%13)(=O)O[W](O3)(=O)(O8)([O]69)O[W]368(=O)O[W]9%13(O%10)(=O)O[W]%10%17(O2)(=O)O[W]2%18(O%11)(=O)O[W]%11%19(O%12)(=O)O[W]%12(O%16)(=O)(O3)[O]6=P([O]9%10)([O]2%11)[O]23[W]6(O%17)(O%18)(O[W]3(O%13)(O8)(O[W]2(O%19)(O%12)(O6)=O)=O)=O)[O]47)([O]=%15)[O]=%14)=O)[O]15.[K+].[K+].[K+].[K+].[K+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O
Title of publication	Stereoisomerism in polyoxometalates: structural and spectroscopic studies of bis(malate)-functionalized cluster systems
Authors of publication	X.Fang; T.M.Anderson; Y.Hou; C.L.Hill
Journal of publication	Chemical Communications
Year of publication	2005
a	13.8173 ± 0.0011 Å
b	14.292 ± 0.0011 Å
c	26.318 ± 0.002 Å
α	92.816 ± 0.002°
β	96.781 ± 0.002°
γ	118.451 ± 0.001°
Cell volume	4504.3 ± 0.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	8
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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