Crystallography Open Database

Information card for entry 7024024

Preview

Coordinates	7024024.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H37 Cl3 Ru2
Calculated formula	C27 H37 Cl3 Ru2
SMILES	[Ru]123456789([c]%10([cH]1[cH]2[cH]3[cH]4[cH]5%10)C)[c]1([c]6([c]7([c]8([c]91C)C)C)C)C.Cl[Ru]12345(Cl)(Cl)[C]6(=[C]1([C]2(=[C]3([C]46=[CH2]5)C)C)C)C
Title of publication	Synthesis and characterisation of tetramethylfulvene complexes of ruthenium.
Authors of publication	Rodríguez-Bárzano, Andrea; Blacker, A. John; McGowan, Patrick C.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	48
Pages of publication	16669 - 16671
a	8.775 ± 0.0014 Å
b	24.948 ± 0.004 Å
c	14.7032 ± 0.0018 Å
α	90°
β	124.722 ± 0.007°
γ	90°
Cell volume	2645.6 ± 0.7 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1191
Residual factor for significantly intense reflections	0.069
Weighted residual factors for significantly intense reflections	0.1434
Weighted residual factors for all reflections included in the refinement	0.1706
Goodness-of-fit parameter for all reflections included in the refinement	1.019
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
179945 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/40.	7024024.cif
91638	2013-12-13	cif/ Adding structures of 7024023, 7024024 via cif-deposit CGI script.	7024024.cif