Crystallography Open Database

Information card for entry 4073505

Preview

Coordinates	4073505.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H40 P4 Ru
Calculated formula	C21 H40 P4 Ru
SMILES	[Ru]12([P](C)(C)CC[P]1(C)C)([P](C)(C)CC[P]2(C)C)(C)C#Cc1ccccc1
Title of publication	Mono- and Bis-acetylidoruthenium(II) Complexes by Controlled Metathesis of Methylruthenium Complexes with Acetylenes
Authors of publication	Field, Leslie D.; Magill, Alison M.; Shearer, Timothy K.; Dalgarno, Scott J.; Turner, Peter
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Journal issue	19
Pages of publication	4776
a	9.0906 ± 0.0018 Å
b	8.8671 ± 0.0018 Å
c	31.194 ± 0.006 Å
α	90°
β	95.538 ± 0.003°
γ	90°
Cell volume	2502.7 ± 0.9 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/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0311
Residual factor for significantly intense reflections	0.0248
Weighted residual factors for significantly intense reflections	0.0608
Weighted residual factors for all reflections included in the refinement	0.0626
Goodness-of-fit parameter for all reflections included in the refinement	1.119
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
178624 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/35.	4073505.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4073505.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4073505.cif
46382	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4073504, 4073505, 4073506, 4073507, 4073508 via cif-deposit CGI script.	4073505.cif