Crystallography Open Database

Information card for entry 7049524

Preview

Coordinates	7049524.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H30 N2 Ni O P2 S2
Calculated formula	C39 H30 N2 Ni O P2 S2
Title of publication	Phosphine-promoted ring-opening of benzisothiazolinate ligands at a nickel(ii) centre: a convenient synthesis of Ni(ii)-thiolate complexes.
Authors of publication	Al-Jibori, Subhi A; Ali, Samer Hussein; Al-Janabi, Ahmed S; Wagner, Christoph; Hogarth, Graeme
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	17
Pages of publication	5520 - 5522
a	10.9912 ± 0.0004 Å
b	27.0617 ± 0.0012 Å
c	11.4178 ± 0.0004 Å
α	90°
β	98.521 ± 0.003°
γ	90°
Cell volume	3358.6 ± 0.2 Å³
Cell temperature	213 K
Ambient diffraction temperature	213 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0416
Residual factor for significantly intense reflections	0.0292
Weighted residual factors for significantly intense reflections	0.0677
Weighted residual factors for all reflections included in the refinement	0.0724
Goodness-of-fit parameter for all reflections included in the refinement	1.015
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
224091 (current)	2019-11-07	cif/ Updating files of 7049523, 7049524, 7049525 Original log message: Adding full bibliography for 7049523--7049525.cif.	7049524.cif
214409	2019-03-29	cif/ Adding structures of 7049523, 7049524, 7049525 via cif-deposit CGI script.	7049524.cif