Crystallography Open Database

Information card for entry 7234664

Preview

Coordinates	7234664.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H20 Mn2 N2 O12
Calculated formula	C9.9998 H19.9986 Mn2 N1.9998 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	8.6962 ± 0.0002 Å
b	8.6962 ± 0.0002 Å
c	13.6572 ± 0.0006 Å
α	90°
β	90°
γ	120°
Cell volume	894.44 ± 0.05 Å³
Cell temperature	360 ± 2 K
Ambient diffraction temperature	360 ± 2 K
Number of distinct elements	5
Space group number	163
Hermann-Mauguin space group symbol	P -3 1 c
Hall space group symbol	-P 3 2c
Residual factor for all reflections	0.0523
Residual factor for significantly intense reflections	0.0478
Weighted residual factors for significantly intense reflections	0.1392
Weighted residual factors for all reflections included in the refinement	0.1429
Goodness-of-fit parameter for all reflections included in the refinement	1.201
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
219386 (current)	2019-10-16	cif/ Adding structures of 7234661, 7234662, 7234663, 7234664, 7234665 via cif-deposit CGI script.	7234664.cif