Crystallography Open Database

Information card for entry 1557198

Preview

Coordinates	1557198.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Mn(cth)Cu(oxpn)(CF3SO3)2
Formula	C26 H52 Cu F6 Mn N8 O8 S2
Calculated formula	C26 Cu F6 Mn N8 O8 S2
Title of publication	Low-Temperature Neutron and X-Ray Diffraction Studies on Mn(cth)Cu(oxpn)(CF3SO3)2: (cth) = (±)-5,7,7,12,14,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane; (oxpn) = N,N'-Bis(3-aminopropyl)oxamide
Authors of publication	Baron, V.; Gillon, B.; Kahn, O.; Rundlof, H.; Tellgren, R.
Journal of publication	Acta Chemica Scandinavica
Year of publication	1997
Journal volume	51
Pages of publication	683 - 688
a	17.525 ± 0.003 Å
b	17.955 ± 0.004 Å
c	12.804 ± 0.002 Å
α	90°
β	104.97 ± 0.02°
γ	90°
Cell volume	3892.2 ± 1.3 Å³
Ambient diffraction temperature	25 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for significantly intense reflections	0.057
Weighted residual factors for significantly intense reflections	0.072
Goodness-of-fit parameter for all reflections included in the refinement	3.6
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
247408 (current)	2020-01-31	cif/ Updating files of 1557198 Original log message: Changed F10 into F6 and changed the formula weight	1557198.cif
247407	2020-01-31	cif/ Adding structures of 1557198 via cif-deposit CGI script.	1557198.cif