Crystallography Open Database

Information card for entry 4341671

Preview

Coordinates	4341671.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H88 Cl8 Ir2 N2 P4
Calculated formula	C48 H88 Cl8 Ir2 N2 P4
SMILES	C1c2ccc3C[P](C(C)C)([Ir]4(n23)([P]1(C(C)C)C(C)C)[CH]1=[CH]4CC[CH]2=[CH](CC1)[Ir]132n2c(C[P]1(C(C)C)C(C)C)ccc2C[P]3(C(C)C)C(C)C)C(C)C.C(Cl)Cl.ClCCl.C(Cl)Cl.C(Cl)Cl
Title of publication	Ag(I) and Tl(I) Precursors as Transfer Agents of a Pyrrole-Based Pincer Ligand to Late Transition Metals.
Authors of publication	Kessler, Julie A.; Iluc, Vlad M.
Journal of publication	Inorganic chemistry
Year of publication	2014
Pages of publication	141111134546005
a	13.6618 ± 0.0012 Å
b	16.8234 ± 0.0015 Å
c	13.9669 ± 0.0013 Å
α	90°
β	111.412 ± 0.002°
γ	90°
Cell volume	2988.6 ± 0.5 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0604
Residual factor for significantly intense reflections	0.0362
Weighted residual factors for significantly intense reflections	0.0738
Weighted residual factors for all reflections included in the refinement	0.0789
Goodness-of-fit parameter for all reflections included in the refinement	1.011
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
179519 (current)	2016-03-23	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/16.	4341671.cif
127402	2014-11-16	cif/ Adding structures of 4341667, 4341668, 4341669, 4341670, 4341671, 4341672, 4341673 via cif-deposit CGI script.	4341671.cif