Crystallography Open Database

Information card for entry 7019308

7019307 << 7019308 >> 7019309

Preview

Coordinates	7019308.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H25 Cl N3 P
Calculated formula	C33 H25 Cl N3 P
SMILES	ClP1N2c3c(N1c1ccccc1CCc1nc(ccc1)CCc1ccccc21)c1cccc2c1c3ccc2
Title of publication	Chemistry of the heavy group 15 elements with the pyridyl tethered 1,2-bis(imino)acenaphthene "clamshell" ligand.
Authors of publication	Brazeau, Allison L.; Jones, Nathan D.; Ragogna, Paul J.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	26
Pages of publication	7890 - 7896
a	20.871 ± 0.004 Å
b	13.861 ± 0.003 Å
c	22.172 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	6414 ± 2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
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	0.089
Residual factor for significantly intense reflections	0.0654
Weighted residual factors for significantly intense reflections	0.1653
Weighted residual factors for all reflections included in the refinement	0.1761
Goodness-of-fit parameter for all reflections included in the refinement	1.063
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7019308.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7019308.cif
62836	2012-07-09	cif/ Adding structures of 7019306, 7019307, 7019308, 7019309, 7019310, 7019311, 7019312, 7019313 via cif-deposit CGI script.	7019308.cif