Crystallography Open Database

Information card for entry 7005569

Preview

Coordinates	7005569.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C99 H76 F18 N12 O5 P3 Rh3
Calculated formula	C99 H72 F18 N12 O5 P3 Rh3
Title of publication	Photophysical and electrochemical properties of new ortho-metalated complexes of rhodium(III) containing 2,2'-dipyridylketone and 2,2'-dipyridylamine. An experimental and theoretical study.
Authors of publication	Su, Wei Lin; Yu, Yu Cheng; Tseng, Mei Ching; Wang, Shao Pin; Huang, Wen Liang
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2007
Journal issue	31
Pages of publication	3440 - 3449
a	25.874 ± 0.0002 Å
b	12.8859 ± 0.0001 Å
c	29.9331 ± 0.0003 Å
α	90°
β	104.44°
γ	90°
Cell volume	9664.71 ± 0.14 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for all reflections	0.0874
Residual factor for significantly intense reflections	0.0551
Weighted residual factors for significantly intense reflections	0.1413
Weighted residual factors for all reflections included in the refinement	0.1607
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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
179759 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/55.	7005569.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7005569.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7005569.cif
1186	2010-06-03	Adding CIFs from Chem-Comm-2010_20-22/ and Dalton-Trans-2007/ processing.	7005569.cif