Crystallography Open Database

Information card for entry 4075821

Preview

Coordinates	4075821.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H46 N2 O Pd
Calculated formula	C38 H46 N2 O Pd
SMILES	O1c2c(C=[N]([Pd]1([N](=Cc1ccccc1)Cc1ccccc1)C)c1c(cccc1C(C)C)C(C)C)cccc2C(C)(C)C
Title of publication	Neutral N‒O Chelated Palladium(II) Complexes: Syntheses, Characterization, and Reactivity
Authors of publication	Kang, Myeongsoon; Sen, Ayusman
Journal of publication	Organometallics
Year of publication	2005
Journal volume	24
Journal issue	14
Pages of publication	3508 - 3515
a	9.6685 ± 0.0004 Å
b	13.0421 ± 0.0006 Å
c	14.892 ± 0.0007 Å
α	71.67 ± 0.001°
β	81.25 ± 0.001°
γ	71.083 ± 0.001°
Cell volume	1683.65 ± 0.13 Å³
Cell temperature	218 ± 2 K
Ambient diffraction temperature	218 ± 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	0.0415
Residual factor for significantly intense reflections	0.0364
Weighted residual factors for significantly intense reflections	0.0937
Weighted residual factors for all reflections included in the refinement	0.0962
Goodness-of-fit parameter for all reflections included in the refinement	1.056
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
210320 (current)	2018-09-01	cif/4/ Updating bibliography in entries 4075631-4075633, 4075820-4075822, 4082243. Marking entry 4082243 as a duplicate of entry 4075820.	4075821.cif
178647	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/58.	4075821.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4075821.cif
50684	2012-03-31	../uploads/cif-deposit/cod/cif Adding structures of 4075821 via cif-deposit CGI script.	4075821.cif