Crystallography Open Database

Information card for entry 7063314

Preview

Coordinates	7063314.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H28 N4 P2 Pd S
Calculated formula	C15 H28 N4 P2 Pd S
Title of publication	Facile formation of tetrazole–thiolato Pd(ii) and Pt(ii) complexes through deprotonation or oxidative addition using organic tetrazole–thiones
Authors of publication	Kwon, Hyoung Soon; Park, Geon Hyeong; Ju, Huiyeong; Lee, Eunji; Kim, Yong-Joo
Journal of publication	New Journal of Chemistry
Year of publication	2024
Journal volume	48
Journal issue	30
Pages of publication	13358 - 13372
a	11.2692 ± 0.0004 Å
b	10.0561 ± 0.0004 Å
c	18.5744 ± 0.0006 Å
α	90°
β	94.113 ± 0.002°
γ	90°
Cell volume	2099.51 ± 0.13 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0216
Residual factor for significantly intense reflections	0.019
Weighted residual factors for significantly intense reflections	0.0496
Weighted residual factors for all reflections included in the refinement	0.0524
Goodness-of-fit parameter for all reflections included in the refinement	1.068
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
293917 (current)	2024-08-05	cif/ Updating files of 7063314, 7063315, 7063316, 7063317, 7063318, 7063319, 7063320, 7063321 Original log message: Adding full bibliography for 7063314--7063321.cif.	7063314.cif
292719	2024-07-04	cif/ Adding structures of 7063314, 7063315, 7063316, 7063317, 7063318, 7063319, 7063320, 7063321 via cif-deposit CGI script.	7063314.cif