Crystallography Open Database

Information card for entry 4325439

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Coordinates	4325439.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(eta-2-o-tolNO)Pd(CNArDipp2)2
Formula	C72 H85.5 O1.75 Pd n3
Calculated formula	C71 H83 N3 O1.5 Pd
SMILES	C(#[N]c1c(cccc1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)[Pd]1(C#[N]c2c(cccc2c2c(cccc2C(C)C)C(C)C)c2c(cccc2C(C)C)C(C)C)N(c2ccccc2C)O1.C(C)OCC
Title of publication	Redox noninnocence of Nitrosoarene Ligands in Transition Metal Complexes
Authors of publication	Neil C. Tomson; Liezel A. Labios; Thomas Weyhermüller; Joshua S. Figueroa; Karl Wieghardt
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	5763 - 5776
a	12.734 ± 0.002 Å
b	21.459 ± 0.003 Å
c	23.75 ± 0.004 Å
α	83.733 ± 0.002°
β	87.768 ± 0.002°
γ	85.113 ± 0.002°
Cell volume	6424.8 ± 1.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0763
Residual factor for significantly intense reflections	0.0527
Weighted residual factors for significantly intense reflections	0.1227
Weighted residual factors for all reflections included in the refinement	0.1346
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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
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.	4325439.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4325439.cif
44509	2012-03-16	../uploads/cif-deposit/cod/cif Adding structures of 4325439 via cif-deposit CGI script.	4325439.cif