Crystallography Open Database

Information card for entry 7000258

Preview

Coordinates	7000258.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H108 F6 O10 P Ru2
Calculated formula	C72 H108 F6 O10 P Ru2
Title of publication	Relationship between metal‒metal bond length and internal rotation in diruthenium tetracarboxylate paddlewheel complexes
Authors of publication	Gracia, Raquel; Adams, Harry; Patmore, Nathan J.
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	2
Pages of publication	259 - 261
a	17.8308 ± 0.0009 Å
b	25.3963 ± 0.0013 Å
c	18.458 ± 0.0009 Å
α	90°
β	117.629 ± 0.002°
γ	90°
Cell volume	7405.3 ± 0.7 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0641
Residual factor for significantly intense reflections	0.0435
Weighted residual factors for significantly intense reflections	0.1086
Weighted residual factors for all reflections included in the refinement	0.1215
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179680 (current)	2016-03-24	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/02.	7000258.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7000258.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7000258.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7000258.cif