Crystallography Open Database

Information card for entry 4327825

Preview

Coordinates	4327825.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H32 N2 O3 P Re
Calculated formula	C39 H32 N2 O3 P Re
SMILES	c1ccc2C(=c3ccc[n]3[Re](C#[O])(C#[O])(C#[O])(n12)[P](c1ccccc1)(c1ccccc1)c1ccccc1)c1c(C)cc(C)cc1C
Title of publication	Luminescent Rhenium(I)-Dipyrrinato Complexes
Authors of publication	Tracey M. McLean; Janice L. Moody; Mark R. Waterland; Shane G. Telfer
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	446 - 455
a	16.966 ± 0.003 Å
b	17.746 ± 0.004 Å
c	21.892 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	6591 ± 2 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0541
Residual factor for significantly intense reflections	0.0466
Weighted residual factors for significantly intense reflections	0.1286
Weighted residual factors for all reflections included in the refinement	0.1798
Goodness-of-fit parameter for all reflections included in the refinement	1.18
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179381 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/78.	4327825.cif
76747	2013-03-21	cif/ Adding structures of 4327825 via cif-deposit CGI script.	4327825.cif