Crystallography Open Database

Information card for entry 7700502

Preview

Coordinates	7700502.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H64 B2 Cl2 Cu2 F4 N4 O10
Calculated formula	C48 H64 B2 Cl2 Cu2 F4 N4 O10
Title of publication	New salicylaldoximato-borate ligands resulting from anion hydrolysis and their respective copper and iron complexes.
Authors of publication	Woodhouse, Sidney S.; De Silva, D Nirosha T; Jameson, Geoffrey B.; Cutler, Daniel J.; Sanz, Sergio; Brechin, Euan K.; Davies, Casey G.; Jameson, Guy N. L.; Plieger, Paul G.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	31
Pages of publication	11872 - 11881
a	10.0416 ± 0.0013 Å
b	10.2816 ± 0.0014 Å
c	13.683 ± 0.0015 Å
α	104.67 ± 0.007°
β	95.931 ± 0.007°
γ	110.168 ± 0.008°
Cell volume	1254.2 ± 0.3 Å³
Cell temperature	103 K
Ambient diffraction temperature	103 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2426
Residual factor for significantly intense reflections	0.0838
Weighted residual factors for significantly intense reflections	0.162
Weighted residual factors for all reflections included in the refinement	0.232
Goodness-of-fit parameter for all reflections included in the refinement	0.835
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
224361 (current)	2019-11-08	cif/ Updating files of 7700501, 7700502, 7700503 Original log message: Adding full bibliography for 7700501--7700503.cif.	7700502.cif
216947	2019-07-11	cif/ Adding structures of 7700501, 7700502, 7700503 via cif-deposit CGI script.	7700502.cif