Crystallography Open Database

Information card for entry 4069414

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Coordinates	4069414.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H66 Cl2 N4 P2 Pd
Calculated formula	C60 H66 Cl2 N4 P2 Pd
Title of publication	Synthesis of Aminoiminophosphoranate Complexes of Palladium and Platinum and X-ray Diffractional Investigation of the Weak C−H···Pd Interactions Affecting the Geometry of the PdNPN Metallacycles
Authors of publication	Peganova, Tat’yana A.; Valyaeva, Anna V.; Kalsin, Alexander M.; Petrovskii, Pavel V.; Borissova, Alexandra O.; Lyssenko, Konstantin A.; Ustynyuk, Nikolai A.
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	10
Pages of publication	3021
a	9.363 ± 0.002 Å
b	22.507 ± 0.005 Å
c	13.716 ± 0.002 Å
α	90°
β	98.309 ± 0.007°
γ	90°
Cell volume	2860.1 ± 1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0779
Residual factor for significantly intense reflections	0.0456
Weighted residual factors for significantly intense reflections	0.095
Weighted residual factors for all reflections included in the refinement	0.1023
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178583 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/94.	4069414.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4069414.cif
40288	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4069414 via cif-deposit CGI script.	4069414.cif