Crystallography Open Database

Information card for entry 7042371

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Structure parameters

Chemical name	1,4-bis(dimethylsilylchloro)benzene
Formula	C10 H16 Cl2 Si2
Calculated formula	C10 H16 Cl2 Si2
SMILES	c1c(ccc(c1)[Si](C)(C)Cl)[Si](Cl)(C)C
Title of publication	Synthesis of heteroatomic bridged paracyclophanes.
Authors of publication	Reuter, K.; Maas, R. G. M.; Reuter, A.; Kilgenstein, F.; Asfaha, Y.; von Hänisch, C
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2017
Journal volume	46
Journal issue	14
Pages of publication	4530 - 4541
a	6.4554 ± 0.0004 Å
b	10.2475 ± 0.0006 Å
c	10.4165 ± 0.0007 Å
α	90°
β	96.7 ± 0.003°
γ	90°
Cell volume	684.36 ± 0.07 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	99.99 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0291
Residual factor for significantly intense reflections	0.0242
Weighted residual factors for significantly intense reflections	0.0589
Weighted residual factors for all reflections included in the refinement	0.0609
Goodness-of-fit parameter for all reflections included in the refinement	1.111
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
301850 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 7/04/ Each referenced PubChem compound corresponds to the full crystal structure.	7042371.cif
196439	2017-05-06	cif/ Updating files of 7042367, 7042368, 7042369, 7042370, 7042371, 7042372, 7042373, 7042374, 7042375, 7042376 Original log message: Adding full bibliography for 7042367--7042376.cif.	7042371.cif
194115	2017-03-09	cif/ Adding structures of 7042367, 7042368, 7042369, 7042370, 7042371, 7042372, 7042373, 7042374, 7042375, 7042376 via cif-deposit CGI script.	7042371.cif