Crystallography Open Database

Information card for entry 4348649

Preview

Coordinates	4348649.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H10 Br Mn N2 O3
Calculated formula	C15 H10 Br Mn N2 O3
Title of publication	Manganese Tricarbonyl Complexes with Asymmetric 2-Iminopyridine Ligands: Toward Decoupling Steric and Electronic Factors in Electrocatalytic CO<sub>2</sub> Reduction.
Authors of publication	Spall, Steven J. P.; Keane, Theo; Tory, Joanne; Cocker, Dean C.; Adams, Harry; Fowler, Hannah; Meijer, Anthony J. H. M.; Hartl, František; Weinstein, Julia A.
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	24
Pages of publication	12568 - 12582
a	12.321 ± 0.0005 Å
b	8.9901 ± 0.0004 Å
c	13.88 ± 0.0006 Å
α	90°
β	99.527 ± 0.002°
γ	90°
Cell volume	1516.24 ± 0.11 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	0.0657
Residual factor for significantly intense reflections	0.0445
Weighted residual factors for significantly intense reflections	0.0823
Weighted residual factors for all reflections included in the refinement	0.0888
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
233225 (current)	2019-11-23	cif/ Adding structures of 4348649 via cif-deposit CGI script.	4348649.cif