Crystallography Open Database

Information card for entry 4326383

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Coordinates	4326383.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H140 N12 O136 P4 Si4 W34
Calculated formula	C26 H76 N7 O131 P4 Si4 W34
SMILES	C[NH2+]C.C[NH2+]C.C[NH2+]C.C[NH2+]C.C[NH2+]C.C[NH2+]C.C[NH2+]C.C(C=C)[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%12P9%10=[O]%12[W]%17(O%11)(O7)(=O)O[W]7%12(O%13)(=O)O[W]%11%12(O%14)([O]9[W]9(O%15)(O%11)(=O)O[W](O%16)([O]6%10)(=O)(O8)O[W]68([O]3=P3%10[O]%11[W]%13(O%17)(O4)(=O)O[W]4%11(O7)(=O)O[W]7%11(O%12)([O]3[W](O9)(O7)(=O)(O6)O[W]3([O]%10[W](O4)(O%11)(O[Si](CC=C)(O%13)O1)(=O)O3)(O8)(=O)O2)=O)(=O)O5)=O)=O)=O.C(C=C)[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%12P9%10=[O]%12[W]%17(O%11)(O7)(=O)O[W]7%12(O%13)(=O)O[W]%11%12(O%14)([O]9[W]9(O%15)(O%11)(=O)O[W](O%16)([O]6%10)(=O)(O8)O[W]68([O]3=P3%10[O]%11[W]%13(O%17)(O4)(=O)O[W]4%11(O7)(=O)O[W]7%11(O%12)([O]3[W](O9)(O7)(=O)(O6)O[W]3([O]%10[W](O4)(O%11)(O[Si](CC=C)(O%13)O1)(=O)O3)(O8)(=O)O2)=O)(=O)O5)=O)=O)=O.O.O.O.O.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	13.284 ± 0.003 Å
b	25.075 ± 0.005 Å
c	26.17 ± 0.005 Å
α	68.08 ± 0.03°
β	88.92 ± 0.03°
γ	76.63 ± 0.03°
Cell volume	7846 ± 3 Å³
Cell temperature	90 K
Ambient diffraction temperature	90 ± 2 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	0.0466
Residual factor for significantly intense reflections	0.0384
Weighted residual factors for significantly intense reflections	0.0993
Weighted residual factors for all reflections included in the refinement	0.1049
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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
179366 (current)	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.	4326383.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4326383.cif
48547	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 4326383 via cif-deposit CGI script.	4326383.cif