Crystallography Open Database

Information card for entry 4074805

Preview

Coordinates	4074805.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H50 Ir N2 O2 P2 Rh
Calculated formula	C58 H27 Ir N2 O2 P2 Rh
Title of publication	Synthesis of a Library of Iridium-Containing Dinuclear Complexes with Bridging PNNN and PNNP Ligands (BL), [LM(μ-BL)M'L']BF4. 2. Preparation, Basic Coordination Properties, and Reactivity of the Carbonyl Complexes
Authors of publication	Dubs, Christian; Yamamoto, Toshiki; Inagaki, Akiko; Akita, Munetaka
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	6
Pages of publication	1359 - 1367
a	12.835 ± 0.009 Å
b	14.471 ± 0.008 Å
c	15.382 ± 0.008 Å
α	63.1 ± 0.02°
β	89.46 ± 0.03°
γ	86.39 ± 0.03°
Cell volume	2542 ± 3 Å³
Cell temperature	213 K
Ambient diffraction temperature	213 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0703
Weighted residual factors for all reflections included in the refinement	0.1817
Goodness-of-fit parameter for all reflections included in the refinement	0.943
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
209811 (current)	2018-08-16	cif/4/ Updating bibliography in entries 4060871-4060877, 4074800-4074806. Marking entries 4060871-4060877 as duplicates of entries 4074800-4074806.	4074805.cif
176467	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4074805.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4074805.cif
48834	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4074802, 4074803, 4074804, 4074805, 4074806 via cif-deposit CGI script.	4074805.cif