Crystallography Open Database

Information card for entry 4067716

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Structure parameters

Formula	C78 H142 Si14
Calculated formula	C78 H142 Si14
Title of publication	Synthesis and Structure of a Heavier Congener of Biphenyl: 1,1′-Disila-4,4′-biphenyl
Authors of publication	Tanabe, Yusuke; Mizuhata, Yoshiyuki; Tokitoh, Norihiro
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	4
Pages of publication	721
a	34.9757 ± 0.0005 Å
b	13.0612 ± 0.0003 Å
c	21.6658 ± 0.0005 Å
α	90°
β	108.399 ± 0.0009°
γ	90°
Cell volume	9391.5 ± 0.3 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	3
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0825
Residual factor for significantly intense reflections	0.0677
Weighted residual factors for significantly intense reflections	0.172
Weighted residual factors for all reflections included in the refinement	0.1857
Goodness-of-fit parameter for all reflections included in the refinement	1.092
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301829 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/06/ Each referenced PubChem compound corresponds to the full crystal structure.	4067716.cif
176432	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4067716.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4067716.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4067716.cif
34276	2012-02-13	../uploads/cif-deposit/cod/cif Adding structures of 4067716 via cif-deposit CGI script.	4067716.cif