Crystallography Open Database

Information card for entry 7045438

Preview

Coordinates	7045438.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H18 Mn O6
Calculated formula	C16 H18 Mn O6
Title of publication	A 2D rhomboidal system of manganese(ii) [Mn(3-MeC<sub>6</sub>H<sub>4</sub>COO)<sub>2</sub>(H<sub>2</sub>O)<sub>2</sub>]<sub>n</sub> with spin canting: rationalization of the magnetic exchange.
Authors of publication	Garcia-Cirera, Beltzane; Costa, Ramon; Moreira, Ibério de P R; Font-Bardia, Mercè; Corbella, Montserrat
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	11
Pages of publication	3717 - 3724
a	16.057 ± 0.002 Å
b	6.8909 ± 0.0009 Å
c	7.2259 ± 0.001 Å
α	90°
β	94.608 ± 0.005°
γ	90°
Cell volume	796.94 ± 0.18 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
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	0.0589
Residual factor for significantly intense reflections	0.0425
Weighted residual factors for significantly intense reflections	0.1016
Weighted residual factors for all reflections included in the refinement	0.113
Goodness-of-fit parameter for all reflections included in the refinement	1.081
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
229999 (current)	2019-11-17	cif/ Updating files of 7045438 Original log message: Adding full bibliography for 7045438.cif.	7045438.cif
205863	2018-01-30	cif/ Adding structures of 7045438 via cif-deposit CGI script.	7045438.cif