Crystallography Open Database

Information card for entry 7701839

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Coordinates	7701839.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	tBu-PBP-Pd-NCSe
Formula	C25 H44 B N3 P2 Pd Se
Calculated formula	C25 H44 B N3 P2 Pd Se
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	16.8528 ± 0.0002 Å
b	16.7026 ± 0.0002 Å
c	21.595 ± 0.0002 Å
α	90°
β	100.309 ± 0.001°
γ	90°
Cell volume	5980.55 ± 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	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0355
Residual factor for significantly intense reflections	0.0349
Weighted residual factors for significantly intense reflections	0.0971
Weighted residual factors for all reflections included in the refinement	0.0979
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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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