Crystallography Open Database

Information card for entry 1556419

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Coordinates	1556419.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H22 B Cu N P S
Calculated formula	C23 H22 B Cu N P S
SMILES	c1ccc[n]2[BH]3[H][Cu]([P](c4ccccc4)(c4ccccc4)c4ccccc4)(Sc12)[H]3
Title of publication	Adding to the Family of Copper Complexes Featuring Borohydride Ligands Based on 2-Mercaptopyridyl Units
Authors of publication	Goldsworthy, J.; Thomas, S.D.; Tizzard, G.J.; Coles, S.J.; Owen, G.R.
Journal of publication	Inorganics
Year of publication	2019
Journal volume	7
Pages of publication	93
a	11.90994 ± 0.00006 Å
b	13.21619 ± 0.00007 Å
c	26.83905 ± 0.00013 Å
α	90°
β	97.6274 ± 0.0004°
γ	90°
Cell volume	4187.2 ± 0.04 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0246
Residual factor for significantly intense reflections	0.0244
Weighted residual factors for significantly intense reflections	0.0662
Weighted residual factors for all reflections included in the refinement	0.0664
Goodness-of-fit parameter for all reflections included in the refinement	1.072
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
244886 (current)	2019-12-03	cif/ Adding structures of 1556419 via cif-deposit CGI script.	1556419.cif