Crystallography Open Database

Information card for entry 1518819

Preview

Coordinates	1518819.cif

Structure parameters

Formula	C27 H63 Cl Cr Ir N3 P3
Calculated formula	C27 H63 Cl Cr Ir N3 P3
SMILES	[Ir]123([Cr](Cl)(N(C(C)C)[P]1(C(C)C)C(C)C)N(C(C)C)[P]2(C(C)C)C(C)C)[P](N3C(C)C)(C(C)C)C(C)C
Title of publication	Synthesis and investigation of the metal-metal interactions in heterobimetallic Cr/Rh and Cr/Ir complexes
Authors of publication	Subramaniam Kuppuswamy; T.R. Cass; Mark W. Bezpalko; Bruce M. Foxman; Christine M. Thomas
Journal of publication	Inorganica Chimica Acta
Year of publication	2015
Journal volume	424
Pages of publication	167 - 172
a	40.9192 ± 0.0015 Å
b	8.6971 ± 0.0003 Å
c	22.0568 ± 0.0008 Å
α	90°
β	116.926 ± 0.002°
γ	90°
Cell volume	6998.6 ± 0.5 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0378
Residual factor for significantly intense reflections	0.0271
Weighted residual factors for all reflections	0.056
Weighted residual factors for significantly intense reflections	0.054
Goodness-of-fit parameter for all reflections included in the refinement	0.9532
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	1518819.cif
133772	2015-03-10	cif/ Adding structures of 1518819 via cif-deposit CGI script.	1518819.cif