Crystallography Open Database

Information card for entry 4349283

Preview

Coordinates	4349283.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Mn2(CO)7(CNArDipp2)3
Formula	C100 H111 Mn2 N3 O7
Calculated formula	C100 H111 Mn2 N3 O7
Title of publication	Electrochemical Properties and CO<sub>2</sub>-Reduction Ability of m-Terphenyl Isocyanide Supported Manganese Tricarbonyl Complexes.
Authors of publication	Agnew, Douglas W.; Sampson, Matthew D.; Moore, Curtis E.; Rheingold, Arnold L.; Kubiak, Clifford P.; Figueroa, Joshua S.
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	23
Pages of publication	12400 - 12408
a	25.964 ± 0.003 Å
b	11.7576 ± 0.0013 Å
c	29.248 ± 0.004 Å
α	90°
β	90.045 ± 0.003°
γ	90°
Cell volume	8928.7 ± 1.9 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1439
Residual factor for significantly intense reflections	0.1298
Weighted residual factors for significantly intense reflections	0.2854
Weighted residual factors for all reflections included in the refinement	0.2909
Goodness-of-fit parameter for all reflections included in the refinement	1.207
Diffraction radiation probe	x-ray
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
233814 (current)	2019-11-23	cif/ Adding structures of 4349283, 4349284, 4349285 via cif-deposit CGI script.	4349283.cif