Crystallography Open Database

Information card for entry 4326382

Preview

Coordinates	4326382.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H66 N6 O70 P2 Si2 W17
Calculated formula	C14 H48 N4 O69 P2 Si2 W17
SMILES	C(CC(=O)O)[Si]12O[W]345(O[W]678(O[W]9%10%11(=O)O[W]%12%13%14(=O)O[W]%15%16(=O)(O9)[O]%10%12=P9%10[O]6[W]6(O%13)(=O)(O7)O[W]7%12(O%14)([O]9[W]9(O%15)(=O)(O7)O[W]7%13(O%16)([O]%10[W](O%11)(=O)(O7)(O8)O[W]78([O]%10=P%11%14[O]3[W]3(O6)(=O)(O4)O[W]46(O%12)([O]%11[W]%11(O9)(=O)(O4)O[W]%10(O%13)(=O)(O7)O[W]4([O]%14[W](O3)(O6)(O1)(O4)=O)(O%11)(O[Si](CCC(=O)O)(O8)O2)=O)=O)(=O)O5)=O)=O)=O)=O.C[NH2+]C.C[NH2+]C.C[NH2+]C.C[NH2+]C.O.O.O
Title of publication	Synthesis and Structure of Dawson Polyoxometalate-Based, Multifunctional, Inorganic-Organic Hybrid Compounds: Organogermyl Complexes with One Terminal Functional Group and Organosilyl Analogues with Two Terminal Functional Groups
Authors of publication	Kenji Nomiya; Yoshihiro Togashi; Yuhki Kasahara; Shotaro Aoki; Hideaki Seki; Marie Noguchi; Shoko Yoshida
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	9606 - 9619
a	24.0572 ± 0.0015 Å
b	13.434 ± 0.0008 Å
c	26.7558 ± 0.0017 Å
α	90°
β	107.783 ± 0.001°
γ	90°
Cell volume	8233.9 ± 0.9 Å³
Cell temperature	90 K
Ambient diffraction temperature	90 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0526
Residual factor for significantly intense reflections	0.0447
Weighted residual factors for significantly intense reflections	0.1172
Weighted residual factors for all reflections included in the refinement	0.1251
Goodness-of-fit parameter for all reflections included in the refinement	1.134
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
188741 (current)	2016-11-29	cod/ Marking attached hydrogen atoms in entries 4326382, 7222906, 8102343, 9016229.	4326382.cif
179366	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/63.	4326382.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4326382.cif
48546	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 4326382 via cif-deposit CGI script.	4326382.cif