Crystallography Open Database

Information card for entry 4082243

Preview

Coordinates	4082243.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H38 N2 O Pd
Calculated formula	C35 H48 N2 O Pd
SMILES	[Pd]1(Oc2c(C=[N]1c1c(cccc1C(C)C)C(C)C)cccc2C(C)(C)C)([N](=Cc1ccccc1)C(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	11.4483 ± 0.0011 Å
b	19.4368 ± 0.0019 Å
c	43.765 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	9738.5 ± 1.6 Å³
Cell temperature	98 ± 2 K
Ambient diffraction temperature	98 ± 2 K
Number of distinct elements	5
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	0.0474
Residual factor for significantly intense reflections	0.0395
Weighted residual factors for significantly intense reflections	0.0861
Weighted residual factors for all reflections included in the refinement	0.0893
Goodness-of-fit parameter for all reflections included in the refinement	1.115
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Duplicate of	4075820
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.	4082243.cif
178711	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/22.	4082243.cif
169182	2015-10-18	cif/4: Fixing Z values and formulae	4082243.cif
99243	2014-01-30	cif/ Adding structures of 4082243 via cif-deposit CGI script.	4082243.cif