Crystallography Open Database

Information card for entry 7009674

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Structure parameters

Formula	C22 H56 Cl2 N4 O Si4
Calculated formula	C22 H56 Cl2 N4 O Si4
SMILES	C[Si](C(C)(C)C)(C(C)(C)C)N1[Si](N)(Cl)N([Si]1(N)Cl)[Si](C)(C(C)(C)C)C(C)(C)C.C(C)OCC
Title of publication	cis-2,4-Diamino-2,4-dichloro-1,3-bis(di-tert-butylmethylsilyl)cyclodisilazane—synthesis and crystal structure
Authors of publication	Jaschke, Bettina; Herbst-Irmer, Regine; Klingebiel, Uwe; Pape, Thomas
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2000
Journal issue	12
Pages of publication	1827
a	16.733 ± 0.003 Å
b	22.687 ± 0.002 Å
c	8.719 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	3309.9 ± 0.8 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	6
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0437
Residual factor for significantly intense reflections	0.0369
Weighted residual factors for significantly intense reflections	0.0843
Weighted residual factors for all reflections included in the refinement	0.0886
Goodness-of-fit parameter for all reflections included in the refinement	1.131
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.	7009674.cif
179800	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 7/00/96.	7009674.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7009674.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7009674.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7009674.cif