Crystallography Open Database

Information card for entry 7234663

Preview

Coordinates	7234663.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H20 Mn2 N2 O12
Calculated formula	C10 H18.804 Mn2 N2 O12
Title of publication	Temperature- and pressure-induced phase transitions in the niccolite-type formate framework of [H3N(CH3)4NH3][Mn2(HCOO)6]
Authors of publication	Miroslaw Maczka; Anna Gagor; Nathalia Leal Marinho Costa; Waldeci Paraguassu; Adam Sieradzki; Adam Pikul
Journal of publication	Journal of Materials Chemistry C
Year of publication	2016
Journal volume	4
Pages of publication	3185 - 3194
a	8.5685 ± 0.0002 Å
b	15.3292 ± 0.0004 Å
c	13.6602 ± 0.0003 Å
α	90°
β	90.226 ± 0.002°
γ	90°
Cell volume	1794.23 ± 0.07 Å³
Cell temperature	345 ± 2 K
Ambient diffraction temperature	345 ± 2 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0426
Residual factor for significantly intense reflections	0.0307
Weighted residual factors for significantly intense reflections	0.0624
Weighted residual factors for all reflections included in the refinement	0.0669
Goodness-of-fit parameter for all reflections included in the refinement	0.977
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
219386 (current)	2019-10-16	cif/ Adding structures of 7234661, 7234662, 7234663, 7234664, 7234665 via cif-deposit CGI script.	7234663.cif