Crystallography Open Database

Information card for entry 7001666

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Structure parameters

Formula	C9 H39 N13 Si9
Calculated formula	C9 H39 N13 Si9
SMILES	C[Si]12N[Si]3(C)N[Si](C)(N2)N[Si]2(C)N[Si]4(C)N[Si](C)(N1)N[Si]1(N4[Si](C)(N[Si](C)(N3)N1)N2)C
Title of publication	Sol–gel analogous aminolysis–ammonolysis of chlorosilanes to chlorine-free Si/(C)/N–materials
Authors of publication	Wiltzsch, Conny; Wagler, Jörg; Roewer, Gerhard; Kroke, Edwin
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	28
Pages of publication	5474 - 5477
a	12.5915 ± 0.0007 Å
b	12.5915 ± 0.0007 Å
c	30.877 ± 0.0014 Å
α	90°
β	90°
γ	120°
Cell volume	4239.6 ± 0.4 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	4
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0518
Residual factor for significantly intense reflections	0.0481
Weighted residual factors for significantly intense reflections	0.1126
Weighted residual factors for all reflections included in the refinement	0.114
Goodness-of-fit parameter for all reflections included in the refinement	1.218
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
301846 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 7/00/ Each referenced PubChem compound corresponds to the full crystal structure.	7001666.cif
176432	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7001666.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7001666.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7001666.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7001666.cif