Crystallography Open Database

Information card for entry 4327826

Preview

Coordinates	4327826.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H35 N3 O3 P Re
Calculated formula	C48 H35 N3 O3 P Re
SMILES	[Re]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([n]2cccc2=C(c2n1ccc2)c1ccc(N(c2ccccc2)c2ccccc2)cc1)(C#[O])(C#[O])C#[O]
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	9.2055 ± 0.0002 Å
b	13.6362 ± 0.0003 Å
c	16.0589 ± 0.0011 Å
α	80.409 ± 0.006°
β	85.95 ± 0.006°
γ	76.312 ± 0.005°
Cell volume	1930.19 ± 0.15 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0507
Residual factor for significantly intense reflections	0.0404
Weighted residual factors for significantly intense reflections	0.0929
Weighted residual factors for all reflections included in the refinement	0.1404
Goodness-of-fit parameter for all reflections included in the refinement	1.256
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.	4327826.cif
76748	2013-03-21	cif/ Adding structures of 4327826 via cif-deposit CGI script.	4327826.cif