Crystallography Open Database

Information card for entry 7047777

Preview

Coordinates	7047777.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	HK1
Formula	C29 H20 Cl5 Mn2 N5 O10
Calculated formula	C29 H20 Cl5 Mn2 N5 O10
Title of publication	A cyanide-bridged di-manganese carbonyl complex that photochemically reduces CO<sub>2</sub> to CO.
Authors of publication	Kuo, Hsin-Ya; Lee, Tia S.; Chu, An T.; Tignor, Steven E.; Scholes, Gregory D.; Bocarsly, Andrew B.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	4
Pages of publication	1226 - 1236
a	11.0681 ± 0.0004 Å
b	30.9567 ± 0.001 Å
c	11.5924 ± 0.0004 Å
α	90°
β	115.726 ± 0.001°
γ	90°
Cell volume	3578.2 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0498
Residual factor for significantly intense reflections	0.0389
Weighted residual factors for significantly intense reflections	0.0864
Weighted residual factors for all reflections included in the refinement	0.0898
Goodness-of-fit parameter for all reflections included in the refinement	1.123
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
224088 (current)	2019-11-07	cif/ Updating files of 7047777 Original log message: Adding full bibliography for 7047777.cif.	7047777.cif
211442	2018-10-13	cif/ Adding structures of 7047777 via cif-deposit CGI script.	7047777.cif