Crystallography Open Database

Information card for entry 4308064

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Structure parameters

Formula	C27 H22 B F15 N P
Calculated formula	C27 H22 B F15 N P
SMILES	P(=[NH][B](c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F)(C(C)C)(C(C)C)C(C)C
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	12.331 ± 0.014 Å
b	18.87 ± 0.02 Å
c	12.398 ± 0.014 Å
α	90°
β	98.32 ± 0.016°
γ	90°
Cell volume	2854 ± 5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.1473
Residual factor for significantly intense reflections	0.0635
Weighted residual factors for significantly intense reflections	0.1378
Weighted residual factors for all reflections included in the refinement	0.1854
Goodness-of-fit parameter for all reflections included in the refinement	1.082
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.	4308064.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.	4308064.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4308064.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4308064.cif
1194	2010-06-06	cif/4/ Adding data from Inorg-Chem-2007_01-13/ processing directory.	4308064.cif