Crystallography Open Database

Information card for entry 7701842

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Coordinates	7701842.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	tBu-POCOP-Pd-NCS
Formula	C23 H39 N O2 P2 Pd S
Calculated formula	C23 H39 N O2 P2 Pd S
Title of publication	Palladium(II) complexes supported by PBP and POCOP pincer ligands: comparison of structure, property and catalytic activity
Authors of publication	Ding, Yazhou; Ma, Qiang-Qiang; Kang, Jiaxin; Zhang, Jie; Li, Shujun; Chen, Xuenian
Journal of publication	Dalton Transactions
Year of publication	2019
a	25.0749 ± 0.0003 Å
b	8.1279 ± 0.0001 Å
c	26.3766 ± 0.0004 Å
α	90°
β	103.032 ± 0.001°
γ	90°
Cell volume	5237.26 ± 0.12 Å³
Cell temperature	149.99 ± 0.1 K
Ambient diffraction temperature	149.99 ± 0.1 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.0361
Residual factor for significantly intense reflections	0.0305
Weighted residual factors for significantly intense reflections	0.0747
Weighted residual factors for all reflections included in the refinement	0.0774
Goodness-of-fit parameter for all reflections included in the refinement	1.146
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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