Crystallography Open Database

Information card for entry 4060554

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Coordinates	4060554.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C91 H81 N11 O6 Ru2 Si2
Calculated formula	C91 H81 N11 O6 Ru2 Si2
SMILES	[Ru]1234([Ru]([N](=CN1c1cccc(c1)OC)c1cccc(c1)OC)([N](=CN2c1cccc(c1)OC)c1cccc(c1)OC)([N](=CN3c1cccc(c1)OC)c1cccc(c1)OC)([N](=C(N4C)c1ccc(cc1)c1nnn(c1)Cc1ccccc1)C)C#CC#C[Si](C)(C)C)C#CC#C[Si](C)(C)C.Cc1ccccc1.Cc1ccccc1
Title of publication	Covalent Modification of Diruthenium Metallaynes: A Novel Application of Click Reaction in Organometallic Chemistry
Authors of publication	Xu, Guo-Lin; Ren, Tong
Journal of publication	Organometallics
Year of publication	2005
Journal volume	24
Journal issue	11
Pages of publication	2564 - 2566
a	14.32 ± 0.0006 Å
b	16.7241 ± 0.0007 Å
c	18.8792 ± 0.0008 Å
α	99.497 ± 0.001°
β	98.636 ± 0.001°
γ	93.273 ± 0.001°
Cell volume	4393.3 ± 0.3 Å³
Cell temperature	300 ± 2 K
Ambient diffraction temperature	300 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1119
Residual factor for significantly intense reflections	0.0499
Weighted residual factors for significantly intense reflections	0.1053
Weighted residual factors for all reflections included in the refinement	0.1215
Goodness-of-fit parameter for all reflections included in the refinement	0.996
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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