Crystallography Open Database

Information card for entry 1548839

Preview

Coordinates	1548839.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H23 Ni0.5 O4
Calculated formula	C21 H23 Ni0.5 O4
Title of publication	Tuning the redox non-innocence of a phenalenyl ligand toward efficient nickel-assisted catalytic hydrosilylation.
Authors of publication	Vijaykumar, Gonela; Pariyar, Anand; Ahmed, Jasimuddin; Shaw, Bikash Kumar; Adhikari, Debashis; Mandal, Swadhin K.
Journal of publication	Chemical science
Year of publication	2018
Journal volume	9
Journal issue	10
Pages of publication	2817 - 2825
a	9.6006 ± 0.0009 Å
b	15.4568 ± 0.0016 Å
c	11.7534 ± 0.0011 Å
α	90°
β	93.542 ± 0.009°
γ	90°
Cell volume	1740.8 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
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	0.07
Residual factor for significantly intense reflections	0.0578
Weighted residual factors for significantly intense reflections	0.1575
Weighted residual factors for all reflections included in the refinement	0.1734
Goodness-of-fit parameter for all reflections included in the refinement	1.071
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
228640 (current)	2019-11-17	cif/ Updating files of 1548839 Original log message: Adding full bibliography for 1548839.cif.	1548839.cif
205996	2018-02-01	cif/ Adding structures of 1548839 via cif-deposit CGI script.	1548839.cif