Crystallography Open Database

Information card for entry 4334447

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Structure parameters

Formula	C144 H100 F24 N32 O20 P4 Ru8
Calculated formula	C144 H100 F24 N32 O20 P4 Ru8
Title of publication	New Dinuclear Ruthenium Complexes: Structure and Oxidative Catalysis
Authors of publication	Carlo Di Giovanni; Lydia Vaquer; Xavier Sala; Jordi Benet-Buchholz; Antoni Llobet
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	4335 - 4345
a	16.0198 ± 0.0019 Å
b	34.255 ± 0.005 Å
c	30.625 ± 0.004 Å
α	90°
β	97.256 ± 0.004°
γ	90°
Cell volume	16671 ± 4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
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	0.1553
Residual factor for significantly intense reflections	0.0788
Weighted residual factors for significantly intense reflections	0.1956
Weighted residual factors for all reflections included in the refinement	0.2199
Goodness-of-fit parameter for all reflections included in the refinement	0.942
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
301839 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/33/ Each referenced PubChem compound corresponds to the full crystal structure.	4334447.cif
179447	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/44.	4334447.cif
100274	2014-02-04	cif/ Adding structures of 4334447 via cif-deposit CGI script.	4334447.cif