Crystallography Open Database

Information card for entry 4074101

Preview

Coordinates	4074101.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H50 O P2 Ru
Calculated formula	C34 H50 O P2 Ru
SMILES	[Ru]12345678(C(=C)P9(=O)[C]2(=[CH]3[CH]4=[C]19C1CCCCC1)C1CCCCC1)P1[C]6(=[CH]7[CH]8=[C]51C1CCCCC1)C1CCCCC1
Title of publication	Unprecedented Formation of μ-Vinylidene Complexes from Phospharuthenocene and Acyl Chloride via Activation of the CO Double Bond
Authors of publication	Ogasawara, Masamichi; Sakamoto, Takeshi; Ito, Azumi; Ge, Yonghui; Nakajima, Kiyohiko; Takahashi, Tamotsu; Hayashi, Tamio
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Journal issue	27
Pages of publication	6698
a	12.178 ± 0.003 Å
b	20.115 ± 0.005 Å
c	13.9 ± 0.005 Å
α	90°
β	109.769 ± 0.011°
γ	90°
Cell volume	3204.3 ± 1.6 Å³
Cell temperature	298.1 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for significantly intense reflections	0.0425
Weighted residual factors for all reflections included in the refinement	0.1548
Goodness-of-fit parameter for all reflections included in the refinement	1.006
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4074101.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4074101.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4074101.cif
46743	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4074101, 4074102, 4074103 via cif-deposit CGI script.	4074101.cif