Crystallography Open Database

Information card for entry 7700107

Preview

Coordinates	7700107.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H28 Mn N10
Calculated formula	C17.9999 H27.9998 Mn N10
Title of publication	Raman and single-crystal X-ray diffraction evidence of pressure-induced phase transitions in a perovskite-like framework of [(C<sub>3</sub>H<sub>7</sub>)<sub>4</sub>N] [Mn(N(CN)<sub>2</sub>)<sub>3</sub>].
Authors of publication	Mączka, Mirosław; Collings, Ines E.; Leite, Fabio Furtado; Paraguassu, Waldeci
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	25
Pages of publication	9072 - 9078
a	15.6154 ± 0.0013 Å
b	17.1417 ± 0.0015 Å
c	14.9699 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	4007.1 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0944
Residual factor for significantly intense reflections	0.0629
Weighted residual factors for significantly intense reflections	0.1709
Weighted residual factors for all reflections included in the refinement	0.201
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation wavelength	0.41112 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
224206 (current)	2019-11-08	cif/ Updating files of 7700105, 7700106, 7700107 Original log message: Adding full bibliography for 7700105--7700107.cif.	7700107.cif
215579	2019-05-29	cif/ Adding structures of 7700105, 7700106, 7700107 via cif-deposit CGI script.	7700107.cif