Crystallography Open Database

Information card for entry 7700503

Preview

Coordinates	7700503.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H90 B3 F8 Fe3 N12 O14
Calculated formula	C76 H90 B3 F8 Fe3 N12 O14
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	15.408 ± 0.005 Å
b	19.133 ± 0.005 Å
c	30.848 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	9094 ± 4 Å³
Cell temperature	143 K
Ambient diffraction temperature	143 K
Number of distinct elements	7
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.1025
Residual factor for significantly intense reflections	0.0861
Weighted residual factors for significantly intense reflections	0.2471
Weighted residual factors for all reflections included in the refinement	0.2674
Goodness-of-fit parameter for all reflections included in the refinement	1.08
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
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.	7700503.cif
216947	2019-07-11	cif/ Adding structures of 7700501, 7700502, 7700503 via cif-deposit CGI script.	7700503.cif