Crystallography Open Database

Information card for entry 7016679

Preview

Coordinates	7016679.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H51 Co F18 N9 P3
Calculated formula	C48 H48 Co F18 N9 P3
Title of publication	Origins of stereoselectivity in optically pure phenylethaniminopyridine tris-chelates M(NN')(3)(n+) (M = Mn, Fe, Co, Ni and Zn).
Authors of publication	Howson, Suzanne E.; Allan, Laura E. N.; Chmel, Nikola P.; Clarkson, Guy J.; Deeth, Robert J.; Faulkner, Alan D.; Simpson, Daniel H.; Scott, Peter
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2011
Journal volume	40
Journal issue	40
Pages of publication	10416 - 10433
a	11.978 Å
b	11.769 Å
c	18.739 Å
α	90°
β	92.09°
γ	90°
Cell volume	2639.86 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0966
Residual factor for significantly intense reflections	0.0669
Weighted residual factors for significantly intense reflections	0.1221
Weighted residual factors for all reflections included in the refinement	0.1382
Goodness-of-fit parameter for all reflections included in the refinement	1.17
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179870 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/66.	7016679.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7016679.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7016679.cif
28047	2011-10-13	../uploads/cif-deposit/cod/cif Adding structures of 7016673, 7016674, 7016675, 7016676, 7016677, 7016678, 7016679, 7016680 via cif-deposit CGI script.	7016679.cif