Crystallography Open Database

Information card for entry 7003612

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Coordinates	7003612.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C78 H210 Cu Ge18 Li O6 Si24
Calculated formula	C78 H210 Cu Ge18 Li O6 Si24
SMILES	[Cu]1234([Ge]56[Ge]78([Ge]9%10[Ge]%11([Ge]15[Ge]16([Ge]89[Ge]%10%111)[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)([Ge]27)[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)[Ge]12[Ge]54[Ge]41([Ge]16[Ge]75([Ge]3[Ge]32([Ge]41[Ge]673)[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C.[Li]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1
Title of publication	[Si(SiMe3)3]6Ge18M (M = Cu, Ag, Au): metalloid cluster compounds as unusual building blocks for a supramolecular chemistry
Authors of publication	Schenk, Christian; Henke, Florian; Santiso-Quiñones, Gustavo; Krossing, Ingo; Schnepf, Andreas
Journal of publication	Dalton Transactions
Year of publication	2008
Journal issue	33
Pages of publication	4436 - 4441
a	15.6548 ± 0.0018 Å
b	15.6548 ± 0.0018 Å
c	15.6548 ± 0.0018 Å
α	97.309 ± 0.017°
β	97.309 ± 0.017°
γ	97.309 ± 0.017°
Cell volume	3734.2 ± 0.8 Å³
Cell temperature	149 ± 2 K
Ambient diffraction temperature	149 ± 2 K
Number of distinct elements	7
Space group number	148
Hermann-Mauguin space group symbol	R -3 :R
Hall space group symbol	-P 3*
Residual factor for all reflections	0.071
Residual factor for significantly intense reflections	0.0403
Weighted residual factors for significantly intense reflections	0.0782
Weighted residual factors for all reflections included in the refinement	0.0869
Goodness-of-fit parameter for all reflections included in the refinement	0.963
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
179740 (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 7/00/36.	7003612.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7003612.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7003612.cif
1173	2010-05-16	cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing.	7003612.cif