Crystallography Open Database

Information card for entry 4075631

Preview

Coordinates	4075631.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H42 N2 O Pd
Calculated formula	C32 H42 N2 O Pd
SMILES	c12c(cccc1C=[N](c1c(cccc1C(C)C)C(C)C)[Pd](C)([N](C)=Cc1ccccc1)O2)C(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	11.1653 ± 0.0017 Å
b	11.3688 ± 0.0017 Å
c	13.611 ± 0.002 Å
α	105.623 ± 0.002°
β	99.448 ± 0.002°
γ	113.062 ± 0.002°
Cell volume	1458.3 ± 0.4 Å³
Cell temperature	98 ± 2 K
Ambient diffraction temperature	98 ± 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	0.0437
Residual factor for significantly intense reflections	0.0358
Weighted residual factors for significantly intense reflections	0.0802
Weighted residual factors for all reflections included in the refinement	0.0833
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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.	4075631.cif
178645	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 4/07/56.	4075631.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4075631.cif
49991	2012-03-30	../uploads/cif-deposit/cod/cif Adding structures of 4075631 via cif-deposit CGI script.	4075631.cif