Crystallography Open Database

Information card for entry 4346539

Preview

Coordinates	4346539.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H28 Mn N10
Calculated formula	C18 H28 Mn N10
Title of publication	Role of Temperature and Pressure on the Multisensitive Multiferroic Dicyanamide Framework [TPrA][Mn(dca)3] with Perovskite-like Structure.
Authors of publication	Bermúdez-García, Juan M; Sánchez-Andújar, Manuel; Yáñez-Vilar, Susana; Castro-García, Socorro; Artiaga, Ramón; López-Beceiro, Jorge; Botana, Luis; Alegría, Ángel; Señarís-Rodríguez, María A
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	24
Pages of publication	11680 - 11687
a	16.2752 ± 0.0005 Å
b	16.2752 ± 0.0005 Å
c	17.4231 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	4615.1 ± 0.2 Å³
Cell temperature	300 ± 2 K
Ambient diffraction temperature	300 ± 2 K
Number of distinct elements	4
Space group number	114
Hermann-Mauguin space group symbol	P -4 21 c
Hall space group symbol	P -4 2n
Residual factor for all reflections	0.0533
Residual factor for significantly intense reflections	0.0401
Weighted residual factors for significantly intense reflections	0.0958
Weighted residual factors for all reflections included in the refinement	0.1052
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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
231830 (current)	2019-11-23	cif/ Adding structures of 4346539 via cif-deposit CGI script.	4346539.cif