Crystallography Open Database

Information card for entry 7701836

Preview

Coordinates	7701836.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	tBu-PBP-Pd-Cl
Formula	C28 H53 B Cl3 N2 P2 Pd
Calculated formula	C28 H53 B Cl3 N2 P2 Pd
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	8.1561 ± 0.0002 Å
b	30.3997 ± 0.0007 Å
c	14.3424 ± 0.0003 Å
α	90°
β	93.997 ± 0.002°
γ	90°
Cell volume	3547.45 ± 0.14 Å³
Cell temperature	289 ± 0.1 K
Ambient diffraction temperature	289 ± 0.1 K
Number of distinct elements	7
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	0.0824
Residual factor for significantly intense reflections	0.0605
Weighted residual factors for significantly intense reflections	0.1235
Weighted residual factors for all reflections included in the refinement	0.1326
Goodness-of-fit parameter for all reflections included in the refinement	1.128
Diffraction radiation probe	x-ray
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
225379 (current)	2019-11-08	cif/ Adding structures of 7701836, 7701837, 7701838, 7701839, 7701840, 7701841, 7701842, 7701843, 7701844 via cif-deposit CGI script.	7701836.cif