Crystallography Open Database

Information card for entry 4346261

Preview

Coordinates	4346261.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H11 Cl N4 O Pd
Calculated formula	C13 H11 Cl N4 O Pd
SMILES	[Pd]12([n]3c(cccc3C=NN1C(=O)c1[n]2cccc1)C)Cl
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	7.4335 ± 0.0004 Å
b	23.4463 ± 0.0011 Å
c	8.3659 ± 0.0004 Å
α	90°
β	117.983 ± 0.001°
γ	90°
Cell volume	1287.61 ± 0.11 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	0.0484
Residual factor for significantly intense reflections	0.0342
Weighted residual factors for significantly intense reflections	0.0575
Weighted residual factors for all reflections included in the refinement	0.0609
Goodness-of-fit parameter for all reflections included in the refinement	1.146
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
231696 (current)	2019-11-23	cif/ Adding structures of 4346261 via cif-deposit CGI script.	4346261.cif