Crystallography Open Database

Information card for entry 4074801

Preview

Coordinates	4074801.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H45 B Cl4 F4 Ir N3 P Rh
Calculated formula	C39 H41 B Cl4 F4 Ir N3 P 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	12.795 ± 0.003 Å
b	13.033 ± 0.004 Å
c	14.044 ± 0.005 Å
α	99.43 ± 0.01°
β	103.25 ± 0.02°
γ	91.89 ± 0.02°
Cell volume	2242.7 ± 1.2 Å³
Cell temperature	213 K
Ambient diffraction temperature	213 K
Number of distinct elements	9
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0907
Weighted residual factors for all reflections included in the refinement	0.266
Goodness-of-fit parameter for all reflections included in the refinement	1.983
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.	4074801.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.	4074801.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4074801.cif
48832	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4074800, 4074801 via cif-deposit CGI script.	4074801.cif