Crystallography Open Database

Information card for entry 7026947

Preview

Coordinates	7026947.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34.5 H27 Br Cl3 N3 P
Calculated formula	C34.5 H27 Br Cl3 N3 P
Title of publication	A new approach to internal Lewis pairs featuring a phosphenium acid and a pyridine base.
Authors of publication	Brazeau, Allison L.; Caputo, Christine A.; Martin, Caleb D.; Jones, Nathan D.; Ragogna, Paul J.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	45
Pages of publication	11069 - 11073
a	21.0725 ± 0.0006 Å
b	14.0248 ± 0.0004 Å
c	22.0431 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	6514.6 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0897
Residual factor for significantly intense reflections	0.0601
Weighted residual factors for significantly intense reflections	0.1712
Weighted residual factors for all reflections included in the refinement	0.1886
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7026947.cif
93651	2014-01-13	cif/ Adding structures of 7026947, 7026948, 7026949, 7026950, 7026951 via cif-deposit CGI script.	7026947.cif