Crystallography Open Database

Information card for entry 4063500

Preview

Coordinates	4063500.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H35 Cl N P Ru
Calculated formula	C27 H35 Cl N P Ru
SMILES	[Ru]12345(Cl)([P](C[C@H]6[NH]1CCC6)(c1ccccc1)c1ccccc1)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C
Title of publication	A Convenient Method for the Synthesis of Protic 2-(Tertiary phosphino)-1-amines and Their Cp*RuCl Complexes
Authors of publication	Ito, Masato; Osaku, Akihide; Kobayashi, Chika; Shiibashi, Akira; Ikariya, Takao
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	2
Pages of publication	390 - 393
a	11.199 ± 0.003 Å
b	12.837 ± 0.004 Å
c	17.976 ± 0.005 Å
α	90°
β	95.861 ± 0.005°
γ	90°
Cell volume	2570.7 ± 1.3 Å³
Cell temperature	173.1 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for significantly intense reflections	0.034
Weighted residual factors for all reflections included in the refinement	0.087
Goodness-of-fit parameter for all reflections included in the refinement	0.823
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
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.	4063500.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4063500.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4063500.cif
22751	2011-07-13	../uploads/cif-deposit/cod/cif Adding structures of 4063500 via cif-deposit CGI script.	4063500.cif