Crystallography Open Database

Information card for entry 7039565

Preview

Coordinates	7039565.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H43 F12 N6 Ni O Sb2
Calculated formula	C30 H43 F12 N6 Ni O Sb2
Title of publication	Ligand effects on the properties of Ni(iii) complexes: aerobically-induced aromatic cyanation at room temperature.
Authors of publication	Zhou, Wen; Watson, Michael B.; Zheng, Shuai; Rath, Nigam P.; Mirica, Liviu M.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	40
Pages of publication	15886 - 15893
a	9.5192 ± 0.0005 Å
b	11.0107 ± 0.0006 Å
c	35.5858 ± 0.0018 Å
α	90°
β	90.808 ± 0.003°
γ	90°
Cell volume	3729.5 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.0461
Residual factor for significantly intense reflections	0.0302
Weighted residual factors for significantly intense reflections	0.0582
Weighted residual factors for all reflections included in the refinement	0.0625
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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
188209 (current)	2016-11-08	cif/ Updating files of 7039563, 7039564, 7039565 Original log message: Adding full bibliography for 7039563--7039565.cif.	7039565.cif
183656	2016-06-17	cif/ Adding structures of 7039563, 7039564, 7039565 via cif-deposit CGI script.	7039565.cif