Crystallography Open Database

Information card for entry 7008829

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Structure parameters

Formula	C14 H25 B Cl2 N2
Calculated formula	C14 H25 B Cl2 N2
SMILES	C1(C)=[N](C2CCCCC2)[B](N1C1CCCCC1)(Cl)Cl
Title of publication	Synthetic and structural chemistry of amidinate-substituted boron halides.
Authors of publication	Hill, Nicholas J.; Findlater, Michael; Cowley, Alan H.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2005
Journal issue	19
Pages of publication	3229 - 3234
a	13.59 ± 0.005 Å
b	7.324 ± 0.005 Å
c	16.451 ± 0.005 Å
α	90°
β	94.622 ± 0.005°
γ	90°
Cell volume	1632.1 ± 1.4 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	5
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	0.1284
Residual factor for significantly intense reflections	0.0484
Weighted residual factors for significantly intense reflections	0.1045
Weighted residual factors for all reflections included in the refinement	0.1309
Goodness-of-fit parameter for all reflections included in the refinement	0.973
Diffraction radiation wavelength	0.71069 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.	7008829.cif
176432	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7008829.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7008829.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7008829.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7008829.cif