Crystallography Open Database

Information card for entry 4064499

Preview

Coordinates	4064499.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C61.25 H50.5 O3.75 P2 Ru
Calculated formula	C61.25 H50.5 O3.75 P2 Ru
Title of publication	Tandem Cyclization in Ruthenium Vinylidene Complexes with Two Ester Groups
Authors of publication	Chang, Wei-Chen; Cheng, Cheng-Wei; Ma, Hao-Wei; Lin, Ying-Chih; Liu, Yi-Hong
Journal of publication	Organometallics
Year of publication	2011
Journal volume	30
Journal issue	10
Pages of publication	2747
a	9.6856 ± 0.0005 Å
b	22.1866 ± 0.0011 Å
c	24.7742 ± 0.001 Å
α	111.902 ± 0.004°
β	95.026 ± 0.004°
γ	98.143 ± 0.004°
Cell volume	4832.2 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0684
Residual factor for significantly intense reflections	0.0362
Weighted residual factors for significantly intense reflections	0.0662
Weighted residual factors for all reflections included in the refinement	0.0705
Goodness-of-fit parameter for all reflections included in the refinement	0.881
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	4064499.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4064499.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4064499.cif
32929	2012-02-11	../uploads/cif-deposit/cod/cif Adding structures of 4064499 via cif-deposit CGI script.	4064499.cif