Crystallography Open Database

Information card for entry 7210282

Preview

Coordinates	7210282.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H28 I4 Ru2
Calculated formula	C20 H28 I4 Ru2
SMILES	[c]12([cH]3[cH]4[Ru]56723([cH]([cH]15)[c]46C(C)C)([I][Ru]12345([c]6([cH]1[cH]2[c]3([cH]4[cH]56)C(C)C)C)(I)[I]7)I)C
Title of publication	Polymorphs and co-crystal with half-sandwich Ru(ii) dimers [(η6-arene)RuX2]2
Authors of publication	Bacchi, Alessia; Cantoni, Giulia; Pelagatti, Paolo
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	34
Pages of publication	6722
a	11.4318 ± 0.0009 Å
b	8.4683 ± 0.0007 Å
c	13.999 ± 0.0001 Å
α	90°
β	105.272 ± 0.0001°
γ	90°
Cell volume	1307.36 ± 0.15 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
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	0.0434
Residual factor for significantly intense reflections	0.0265
Weighted residual factors for significantly intense reflections	0.0533
Weighted residual factors for all reflections included in the refinement	0.0567
Goodness-of-fit parameter for all reflections included in the refinement	0.874
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
180433 (current)	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 7/21/02.	7210282.cif
87586	2013-08-27	cif/ Adding structures of 7210282, 7210283, 7210284, 7210285 via cif-deposit CGI script.	7210282.cif