Crystallography Open Database

Information card for entry 7210332

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Structure parameters

Chemical name	Rh_2_L1_2_CF3COO_2
Formula	C44 H28 F16 O10 Rh2
Calculated formula	C44 H28 F16 O10 Rh2
SMILES	C1(C(F)(F)F)=[O][Rh]234([O]=C(c5ccc(cc5)C#Cc5c(F)c(F)c(F)c(F)c5F)O[Rh]4([O]=C(C(F)(F)F)O3)(O1)([O]=C(O2)c1ccc(cc1)C#Cc1c(F)c(F)c(F)c(F)c1F)[O]=C(CC)CC)[O]=C(CC)CC
Title of publication	Arene–perfluoroarene interactions for crystal engineering of metal complexes: Controlled self-assembly of paddle-wheel dimers
Authors of publication	Itoh, Takahiro; Kondo, Mio; Kanaike, Mari; Masaoka, Shigeyuki
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	31
Pages of publication	6122
a	9.51 ± 0.005 Å
b	9.693 ± 0.006 Å
c	13.597 ± 0.008 Å
α	103.857 ± 0.005°
β	100.543 ± 0.004°
γ	107.06 ± 0.008°
Cell volume	1119.2 ± 1.1 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0684
Residual factor for significantly intense reflections	0.0587
Weighted residual factors for significantly intense reflections	0.1575
Weighted residual factors for all reflections included in the refinement	0.1615
Goodness-of-fit parameter for all reflections included in the refinement	1.229
Diffraction radiation wavelength	0.710747 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301864 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/21/ Each referenced PubChem compound corresponds to the full crystal structure.	7210332.cif
180434	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/03.	7210332.cif
87601	2013-08-27	cif/ Adding structures of 7210332, 7210333 via cif-deposit CGI script.	7210332.cif