Crystallography Open Database

Information card for entry 4089713

Preview

Coordinates	4089713.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H43 P3 Ru
Calculated formula	C32 H43 P3 Ru
SMILES	[Ru]123([P](C)(C)c4ccccc4)([P](C)(C)c4ccccc4)([P](C)(C)c4ccccc4)C4[CH]1=[CH]2C=CC3CC4
Title of publication	Versatile Coordination Modes and Transformations of the Cyclooctatriene Ligand in Ru(C8H10)L3(L = Tertiary Phosphine)
Authors of publication	Komiya, Sanshiro; Planas, Jose Giner; Onuki, Koji; Lu, Zhaobin; Hirano, Masafumi
Journal of publication	Organometallics
Year of publication	2000
Journal volume	19
Journal issue	20
Pages of publication	4051
a	11.143 ± 0.002 Å
b	14.934 ± 0.002 Å
c	9.254 ± 0.002 Å
α	94.49 ± 0.01°
β	91.32 ± 0.02°
γ	83.02 ± 0.01°
Cell volume	1523.7 ± 0.5 Å³
Cell temperature	293.2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0427
Weighted residual factors for all reflections included in the refinement	0.0389
Goodness-of-fit parameter for all reflections included in the refinement	2.195
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
244976 (current)	2019-12-11	cif/4/08/97/ Corrected the values of the '_diffrn_measurement_method', '_diffrn_radiation_type', '_refine_ls_weighting_details' and '_reflns_threshold_expression' data items in entry 4089713 by replacing a sequence of malformed symbols with the backslash symbol ('\') after consulting the original publication.	4089713.cif
243728	2019-11-26	cif/ Adding structures of 4089713 via cif-deposit CGI script.	4089713.cif