Crystallography Open Database

Information card for entry 4346264

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Coordinates	4346264.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H14 Cl2 N4 O2 Pd
Calculated formula	C13 H14 Cl2 N4 O2 Pd
SMILES	[Pd]1(Cl)(Cl)[N](=NC=c2[nH]c(ccc2)C)C(=O)c2[n]1cccc2.O
Title of publication	Coordination Structure Conversion of Hydrazone-Palladium(II) Complexes in the Solid State and in Solution.
Authors of publication	Kitamura, Fumi; Sawaguchi, Kana; Mori, Asami; Takagi, Shoji; Suzuki, Takayoshi; Kobayashi, Atsushi; Kato, Masako; Nakajima, Kiyohiko
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	17
Pages of publication	8436 - 8448
a	14.1119 ± 0.0004 Å
b	7.6407 ± 0.0002 Å
c	15.3195 ± 0.0004 Å
α	90°
β	109.534 ± 0.001°
γ	90°
Cell volume	1556.75 ± 0.07 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	6
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	0.0499
Residual factor for significantly intense reflections	0.0368
Weighted residual factors for significantly intense reflections	0.0757
Weighted residual factors for all reflections included in the refinement	0.08
Goodness-of-fit parameter for all reflections included in the refinement	1.082
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
231699 (current)	2019-11-23	cif/ Adding structures of 4346264 via cif-deposit CGI script.	4346264.cif