Crystallography Open Database

Information card for entry 1551584

Preview

Coordinates	1551584.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H21 N2 O4 Pd
Calculated formula	C21 H24 N2 O4 Pd
SMILES	[Pd]123Oc4ccc(cc4C=[N]2CC(C[N]3=Cc2c(ccc(c2)OC)O1)(C)C)OC
Title of publication	Crystal Structure of 2,2′-(((2,2-Dimethylpropane-1,3-diyl)bis(azanylylidene))bis(methanylylidene))bis(4-methoxyphenol)palladium(II)
Authors of publication	AHMAD, Shahrul Nizam; BAHRON, Hadariah; TAJUDDIN, Amalina M.; YUSOF, M. Sukeri M.
Journal of publication	X-ray Structure Analysis Online
Year of publication	2017
Journal volume	33
Journal issue	0
Pages of publication	73
a	12.5115 ± 0.0007 Å
b	10.5337 ± 0.0006 Å
c	15.008 ± 0.0009 Å
α	90°
β	94.0547 ± 0.0019°
γ	90°
Cell volume	1973 ± 0.2 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	5
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	0.0585
Residual factor for significantly intense reflections	0.0415
Weighted residual factors for significantly intense reflections	0.1251
Weighted residual factors for all reflections included in the refinement	0.1477
Goodness-of-fit parameter for all reflections included in the refinement	1.144
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
216194 (current)	2019-06-20	cif/ Adding structures of 1551584 via cif-deposit CGI script.	1551584.cif