Crystallography Open Database

Information card for entry 7040768

Preview

Coordinates	7040768.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H59 K Mn N3 O11
Calculated formula	C41 H59 K Mn N3 O11
Title of publication	Electrocatalytic reduction of carbon dioxide with Mn(terpyridine) carbonyl complexes.
Authors of publication	Machan, Charles W.; Kubiak, Clifford P.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	43
Pages of publication	17179 - 17186
a	9.3458 ± 0.0008 Å
b	9.7583 ± 0.0009 Å
c	23.585 ± 0.002 Å
α	78.713 ± 0.004°
β	86.471 ± 0.004°
γ	85.761 ± 0.004°
Cell volume	2101.1 ± 0.3 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1099
Residual factor for significantly intense reflections	0.0705
Weighted residual factors for significantly intense reflections	0.1735
Weighted residual factors for all reflections included in the refinement	0.2036
Goodness-of-fit parameter for all reflections included in the refinement	1.0532
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
188182 (current)	2016-11-08	cif/ Updating files of 7040768 Original log message: Adding full bibliography for 7040768.cif.	7040768.cif
186834	2016-09-29	cif/ Adding structures of 7040768 via cif-deposit CGI script.	7040768.cif