Crystallography Open Database

Information card for entry 4308066

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Structure parameters

Formula	C12 H31 B N P
Calculated formula	C12 H31 B N P
SMILES	P(=[NH][BH3])(C(C)(C)C)(C(C)(C)C)CCCC
Title of publication	Boron and Aluminum Complexes of Sterically Demanding Phosphinimines and Phosphinimides
Authors of publication	Silke Courtenay; Denise Walsh; Sarah Hawkeswood; Pingrong Wei; Anjan Kumar Das; Douglas W. Stephan
Journal of publication	Inorganic Chemistry
Year of publication	2007
Journal volume	46
Pages of publication	3623 - 3631
a	8.212 ± 0.005 Å
b	8.397 ± 0.005 Å
c	11.678 ± 0.006 Å
α	84.132 ± 0.012°
β	85.683 ± 0.01°
γ	85.338 ± 0.01°
Cell volume	796.6 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0733
Residual factor for significantly intense reflections	0.0551
Weighted residual factors for significantly intense reflections	0.1516
Weighted residual factors for all reflections included in the refinement	0.1623
Goodness-of-fit parameter for all reflections included in the refinement	1.013
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
301836 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/30/ Each referenced PubChem compound corresponds to the full crystal structure.	4308066.cif
179118	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/80.	4308066.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4308066.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4308066.cif
1194	2010-06-06	cif/4/ Adding data from Inorg-Chem-2007_01-13/ processing directory.	4308066.cif