Crystallography Open Database

Information card for entry 7715220

Preview

Coordinates	7715220.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H76 B2 N16 Ni
Calculated formula	C56 H76 B2 N16 Ni
Title of publication	NHC-ligated nickel(II) cyanoborate complexes and salts.
Authors of publication	Luff, Martin S.; Walther, Luis; Finze, Maik; Radius, Udo
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	12
Pages of publication	5391 - 5400
a	18.2256 ± 0.0002 Å
b	15.8811 ± 0.0001 Å
c	20.8977 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	6048.68 ± 0.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
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	0.0747
Residual factor for significantly intense reflections	0.0707
Weighted residual factors for significantly intense reflections	0.1886
Weighted residual factors for all reflections included in the refinement	0.1921
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
290978 (current)	2024-04-05	cif/ Updating files of 7715213, 7715214, 7715215, 7715216, 7715217, 7715218, 7715219, 7715220, 7715221, 7715222, 7715223, 7715224, 7715225, 7715226, 7715227, 7715228, 7715229, 7715230 Original log message: Adding full bibliography for 7715213--7715230.cif.	7715220.cif
289947	2024-02-24	cif/ Adding structures of 7715213, 7715214, 7715215, 7715216, 7715217, 7715218, 7715219, 7715220, 7715221, 7715222, 7715223, 7715224, 7715225, 7715226, 7715227, 7715228, 7715229, 7715230 via cif-deposit CGI script.	7715220.cif