Crystallography Open Database

Information card for entry 7001679

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Coordinates	7001679.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H187 N13 O228 P6 Si6 W51
Calculated formula	C14 N7 O192 P6 Si6 W51
SMILES	C[NH2+]C.C[NH2+]C.C[NH2+]C.C[NH2+]C.O=[W]1234O[W]567(=O)O[W]89(O1)(=O)[O]25=P12[O]5[W]%10%11(O3)(O[W]3%12(O4)([O]1[W]1(O8)(O3)(=O)O[W]34(O9)([O]2[W]2(O7)(O[W]5(O6)(O%10)(=O)O[W]567([O]8=P9%10[O]%13[W]%14%15(O%12)(O[W]8(O%11)(=O)(O5)O[Si]58O[Si](O[Si]%11%12O[Si]%16(O[W]%17%18%19(=O)O[W]%20%21(=O)(O%11)[O]%17=P%11%17[O]%22[W]%23%24(O%16)(O[W]%16%25(O%12)([O]%17[W]%12(O%21)(O[W]%17%21(O%20)([O]%11[W]%11(O%19)(O[W]%22(O%18)(O%23)(=O)O[W]%18%19%20([O]%22=P%23%26[O]%27[W]%28(O%11)(O%19)(=O)O[W]%11%27(O%21)(=O)O[W]%19(O%12)(O%23)(=O)O[W]%12(O%25)(O[W]%22(O%24)(=O)(O%18)O[W]%18%21([O]%22%26[W](O%20)(O%28)(O%18)(=O)O[W]%22(O%11)(O%19)(=O)O%21)(O%12)=O)=O)=O)(=O)O%17)=O)(=O)O%16)=O)=O)O[Si]%11%12O[W]%16%17%18(=O)O[W]%19%20%21(=O)O[Si](O5)(O%11)O[W]5%11%22([O]%23=P%24([O]%16%19)[O]%16[W]%19(O%12)(O5)(=O)O[W]5%16(O%17)(=O)O[W]%12%16(O%18)([O]%24[W]%17(O%20)(O%12)(=O)O[W]%23(O%21)(=O)(O%11)O[W]%11%12%18([O]=P%20%21[O]%23[W]%24%25(O%19)(O[W](O%22)(O%12)(=O)O[W]%12%19([O]%22%21[W]%21%26(O[W]%23(O5)(O%24)(=O)O[W]5(O%16)([O]%20[W](O%17)(O5)(=O)(O%11)O[W]%22(O%18)(O%26)(=O)O%19)(=O)O%21)(O%12)=O)(O%25)=O)=O)=O)=O)=O)(O%15)O[W]5%11%12([O]%10[W](O[W]%10(O2)([O]9[W](O4)(O[W]%13(O1)(O%14)(=O)O%11)(=O)(O%10)O5)(O6)=O)(O7)(O8)(=O)O%12)=O)=O)=O)(=O)O3)=O)=O)=O.O.O.C[NH2+]C.C[NH2+]C.C[NH2+]C.O
Title of publication	Cyclic oligomer of oxide clusters through a siloxane bond. Synthesis and structure of reaction products of α2-mono-lacunary Dawson polyoxometalate with tetrachlorosilane and tetraethoxysilane
Authors of publication	Kurashina, Takayuki; Aoki, Shotaro; Hirasawa, Ryota; Hasegawa, Takeshi; Kasahara, Yuhki; Yoshida, Shoko; Yoza, Kenji; Nomiya, Kenji
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	28
Pages of publication	5542 - 5550
a	15.864 ± 0.01 Å
b	37.04 ± 0.02 Å
c	21.361 ± 0.013 Å
α	90°
β	110.461 ± 0.011°
γ	90°
Cell volume	11760 ± 12 Å³
Cell temperature	90 K
Ambient diffraction temperature	90 K
Number of distinct elements	7
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0758
Residual factor for significantly intense reflections	0.0605
Weighted residual factors for significantly intense reflections	0.151
Weighted residual factors for all reflections included in the refinement	0.1646
Goodness-of-fit parameter for all reflections included in the refinement	1.099
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
179714 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/16.	7001679.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7001679.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7001679.cif
5312	2011-01-03	cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version.	7001679.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7001679.cif