Crystallography Open Database

Information card for entry 4076529

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Structure parameters

Formula	C19 H29 B Cl N4 Si
Calculated formula	C19 H29 B Cl N4 Si
Title of publication	1,1-Bis(N-methylimidazole)-2-(trimethylsilyl)-1-boracyclohexa-1,4-diene Chloride: A Stable Intermediate or Tangent en Route to 1-(N-Methylimidazole)borabenzene?
Authors of publication	Cade, Ian A.; Hill, Anthony F.
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	5
Pages of publication	2112
a	35.9186 ± 0.001 Å
b	9.753 ± 0.0003 Å
c	13.6534 ± 0.0003 Å
α	90°
β	112.107 ± 0.0016°
γ	90°
Cell volume	4431.3 ± 0.2 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	6
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	0.0616
Residual factor for significantly intense reflections	0.0453
Weighted residual factors for all reflections	0.1958
Weighted residual factors for significantly intense reflections	0.1652
Weighted residual factors for all reflections included in the refinement	0.1958
Goodness-of-fit parameter for all reflections included in the refinement	0.8612
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
301830 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/07/ Each referenced PubChem compound corresponds to the full crystal structure.	4076529.cif
176467	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4076529.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4076529.cif
51993	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 4076529 via cif-deposit CGI script.	4076529.cif