Crystallography Open Database

Information card for entry 4329145

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Structure parameters

Common name	5
Formula	C27 H33 Cl Si
Calculated formula	C27 H33 Cl Si
SMILES	Cl[Si](c1ccc(cc1)C(C)C)(c1ccc(cc1)C(C)C)c1ccc(cc1)C(C)C
Title of publication	Expanding the Steric Coverage Offered by Bis(amidosilyl) Chelates: Isolation of Low-Coordinate N-Heterocyclic Germylene Complexes
Authors of publication	Sean K. Liew; S. M. Ibrahim Al-Rafia; James T. Goettel; Paul A. Lummis; Sean M. McDonald; Leah J. Miedema; Michael J. Ferguson; Robert McDonald; Eric Rivard
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	5471 - 5480
a	10.1381 ± 0.0003 Å
b	11.5933 ± 0.0004 Å
c	11.6907 ± 0.0004 Å
α	83.9233 ± 0.0003°
β	65.1785 ± 0.0003°
γ	89.4459 ± 0.0003°
Cell volume	1239.19 ± 0.07 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.054
Residual factor for significantly intense reflections	0.0497
Weighted residual factors for significantly intense reflections	0.1387
Weighted residual factors for all reflections included in the refinement	0.1428
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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
301838 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/32/ Each referenced PubChem compound corresponds to the full crystal structure.	4329145.cif
179394	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 4/32/91.	4329145.cif
78185	2013-04-01	cif/ Adding structures of 4329145 via cif-deposit CGI script.	4329145.cif