Crystallography Open Database

Information card for entry 7701770

Preview

Coordinates	7701770.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	di Ni POCOP iPr CB
Formula	C38 H72 B10 Ni2 O4 P4 S2
Calculated formula	C38 H72 B10 Ni2 O4 P4 S2
Title of publication	The stability of group 10 metal POCOP pincer complexes: decomposition/reconstruction pathways of the pincer backbone.
Authors of publication	Cao, Bula; Ding, Yazhou; Fang, Fei; Chang, Jiarui; Zhang, Jie; Li, Shujun; Chen, Xuenian
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	36
Pages of publication	13760 - 13768
a	18.7762 ± 0.0006 Å
b	15.5899 ± 0.0005 Å
c	17.68 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	5175.3 ± 0.3 Å³
Cell temperature	295.16 ± 0.1 K
Ambient diffraction temperature	295.16 K
Number of distinct elements	7
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.077
Residual factor for significantly intense reflections	0.0529
Weighted residual factors for significantly intense reflections	0.1179
Weighted residual factors for all reflections included in the refinement	0.1318
Goodness-of-fit parameter for all reflections included in the refinement	1.133
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
223354 (current)	2019-11-05	cif/ Adding structures of 7701766, 7701767, 7701768, 7701769, 7701770, 7701771 via cif-deposit CGI script.	7701770.cif