Crystallography Open Database

Information card for entry 4327822

Preview

Coordinates	4327822.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H28 N2 O5 P Re
Calculated formula	C38 H28 N2 O5 P Re
SMILES	[Re]1([n]2cccc2=C(c2n1ccc2)c1ccc(cc1)C(=O)OC)([P](c1ccccc1)(c1ccccc1)c1ccccc1)(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	9.65465 ± 0.00021 Å
b	10.41243 ± 0.0002 Å
c	17.73433 ± 0.00035 Å
α	102.48 ± 0.001°
β	105.703 ± 0.001°
γ	93.887 ± 0.001°
Cell volume	1660.52 ± 0.06 Å³
Cell temperature	292 ± 2 K
Ambient diffraction temperature	292 ± 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	0.0265
Residual factor for significantly intense reflections	0.0247
Weighted residual factors for significantly intense reflections	0.0678
Weighted residual factors for all reflections included in the refinement	0.0728
Goodness-of-fit parameter for all reflections included in the refinement	1.186
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.	4327822.cif
76744	2013-03-21	cif/ Adding structures of 4327822 via cif-deposit CGI script.	4327822.cif