Crystallography Open Database

Information card for entry 7706398

Preview

Coordinates	7706398.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H6 Br2 Mn2 N4 O6
Calculated formula	C14 H6 Br2 Mn2 N4 O6
Title of publication	Synthesis, structural studies, and redox chemistry of bimetallic [Mn(CO)<sub>3</sub>] and [Re(CO)<sub>3</sub>] complexes.
Authors of publication	Henke, Wade C.; Kerr, Tyler A.; Sheridan, Thomas R.; Henling, Lawrence M.; Takase, Michael K.; Day, Victor W.; Gray, Harry B.; Blakemore, James D.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	8
Pages of publication	2746 - 2756
a	6.438 ± 0.0006 Å
b	8.3336 ± 0.0007 Å
c	9.498 ± 0.0009 Å
α	98.88 ± 0.007°
β	100.604 ± 0.007°
γ	96.117 ± 0.007°
Cell volume	490.08 ± 0.08 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.1034
Residual factor for significantly intense reflections	0.0702
Weighted residual factors for significantly intense reflections	0.1569
Weighted residual factors for all reflections included in the refinement	0.1759
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
262597 (current)	2021-03-05	cif/ Updating files of 7706395, 7706396, 7706397, 7706398, 7706399, 7706400, 7706401 Original log message: Adding full bibliography for 7706395--7706401.cif.	7706398.cif
260937	2021-01-14	cif/ Adding structures of 7706395, 7706396, 7706397, 7706398, 7706399, 7706400, 7706401 via cif-deposit CGI script.	7706398.cif