Crystallography Open Database

Information card for entry 7001680

Preview

Coordinates	7001680.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H67 Ge N7 O67 P2 W17
Calculated formula	C8 N4 O66 P2 W18
SMILES	C[NH2+]C.C[NH2+]C.C[NH2+]C.C[NH2+]C.O=[W]1234O[W]567(=O)O[W]89(=O)(O1)O[W]1%10%11(O[W]%12%13(O6)(O[W]6%14(O5)(O[W]5%15(O2)(O[W]2%16(O3)(O[W](O8)(O1)(=O)([O]2=P([O]479)([O]65)[O]%10%12)O[W]123(O[W]45(O%11)(O[W]67(O%13)(O[W]89(O%14)(O[W]%10%11(O%15)(O[W]%12(O%16)(O1)(=O)[O]2=P([O]8%10)([O]46)[O]12[W]4(O%11)(O%12)(=O)O[W]1(O9)(O7)(=O)O[W]2(O5)(O3)(=O)O4)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O.O.O.O.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	12.9435 ± 0.0012 Å
b	13.2455 ± 0.0013 Å
c	23.588 ± 0.002 Å
α	81.049 ± 0.001°
β	85.485 ± 0.001°
γ	68.512 ± 0.001°
Cell volume	3716.1 ± 0.6 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 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	0.1047
Residual factor for significantly intense reflections	0.0651
Weighted residual factors for significantly intense reflections	0.1728
Weighted residual factors for all reflections included in the refinement	0.1986
Goodness-of-fit parameter for all reflections included in the refinement	1.103
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.	7001680.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7001680.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7001680.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.	7001680.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7001680.cif