Crystallography Open Database

Information card for entry 7240410

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Structure parameters

Formula	C46 H30 O4 Pd
Calculated formula	C46 H30 O4 Pd
SMILES	c1c2ccccc2ccc1C1=CC(=[O][Pd]2(O1)OC(=CC(=[O]2)c1ccc2ccccc2c1)c1cc2ccccc2cc1)c1ccc2ccccc2c1
Title of publication	Supramolecular association of M2+⋯π induced by different electrostatic properties using naphthyl substituted β-diketonate complexes (metal = Cu, Pd, Pt)
Authors of publication	Kusakawa, Takumi; Goto, Takayuki; Hori, Akiko
Journal of publication	CrystEngComm
Year of publication	2020
a	35.924 ± 0.006 Å
b	6.0389 ± 0.0011 Å
c	16.287 ± 0.003 Å
α	90°
β	109.919 ± 0.005°
γ	90°
Cell volume	3321.9 ± 1 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0816
Residual factor for significantly intense reflections	0.0453
Weighted residual factors for significantly intense reflections	0.091
Weighted residual factors for all reflections included in the refinement	0.1095
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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
301870 (current)	2025-08-23	Add cross-references to PubChem compounds in COD range 7/24/ Each referenced PubChem compound corresponds to the full crystal structure.	7240410.cif
251199	2020-04-28	cif/ Adding structures of 7240407, 7240408, 7240409, 7240410 via cif-deposit CGI script.	7240410.cif