Crystallography Open Database

Information card for entry 4346260

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Coordinates	4346260.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H15 Cl2 N5 O Pd
Calculated formula	C15 H15 Cl2 N5 O Pd
SMILES	[Pd]1([N](NC(=O)c2ncccc2)=C(c2[n]1cccc2)C)(Cl)Cl.N#CC
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	7.9333 ± 0.0002 Å
b	9.1844 ± 0.0002 Å
c	12.9114 ± 0.0003 Å
α	94.641 ± 0.001°
β	98.637 ± 0.001°
γ	104.234 ± 0.001°
Cell volume	894.69 ± 0.04 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0307
Residual factor for significantly intense reflections	0.029
Weighted residual factors for significantly intense reflections	0.0849
Weighted residual factors for all reflections included in the refinement	0.0858
Goodness-of-fit parameter for all reflections included in the refinement	1.266
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
231695 (current)	2019-11-23	cif/ Adding structures of 4346260 via cif-deposit CGI script.	4346260.cif