Crystallography Open Database

Information card for entry 7700501

Preview

Coordinates	7700501.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H84 B4 F10 Fe2 N8 O18
Calculated formula	C56 H84 B4 F10 Fe2 N8 O18
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	10.292 ± 0.005 Å
b	12.325 ± 0.003 Å
c	15.431 ± 0.005 Å
α	73.437 ± 0.005°
β	71.084 ± 0.003°
γ	67.319 ± 0.005°
Cell volume	1679.5 ± 1.1 Å³
Cell temperature	152 K
Ambient diffraction temperature	152 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.055
Residual factor for significantly intense reflections	0.0493
Weighted residual factors for significantly intense reflections	0.1255
Weighted residual factors for all reflections included in the refinement	0.1403
Goodness-of-fit parameter for all reflections included in the refinement	1.087
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.	7700501.cif
216947	2019-07-11	cif/ Adding structures of 7700501, 7700502, 7700503 via cif-deposit CGI script.	7700501.cif