Crystallography Open Database

Information card for entry 4327828

Preview

Coordinates	4327828.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H44 Cl0 N2 O4.5 P2 Re
Calculated formula	C55 H43 N2 O4.5 P2 Re
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	11.921 ± 0.0005 Å
b	19.9068 ± 0.0006 Å
c	21.6044 ± 0.0015 Å
α	99.761 ± 0.007°
β	91.342 ± 0.006°
γ	90.08 ± 0.006°
Cell volume	5051.2 ± 0.5 Å³
Cell temperature	143 ± 2 K
Ambient diffraction temperature	143 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1537
Residual factor for significantly intense reflections	0.1233
Weighted residual factors for significantly intense reflections	0.3095
Weighted residual factors for all reflections included in the refinement	0.3484
Goodness-of-fit parameter for all reflections included in the refinement	1.15
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4327828.cif
76750	2013-03-21	cif/ Adding structures of 4327828 via cif-deposit CGI script.	4327828.cif