Crystallography Open Database

Information card for entry 7701358

Preview

Coordinates	7701358.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Complex of manganese(II) bromide with [(dimethylamino)methylene] bis(diphenylphosphine oxide)
Formula	C54 H54 Br2 Mn N2 O4 P4
Calculated formula	C54 H54 Br2 Mn N2 O4 P4
Title of publication	Luminescence of Mn2+ ion in non-Oh and Td coordination environments: the missing case of square-pyramid
Authors of publication	Artem'ev, Alexander; Davydova, Maria; Berezin, Alexey S.; Brel, Valery K.; Morgalyuk, Vasilii; Bagryanskaya, Irina Yu.; Samsonenko, Denis G.
Journal of publication	Dalton Transactions
Year of publication	2019
a	14.136 ± 0.0013 Å
b	14.4046 ± 0.001 Å
c	14.9017 ± 0.0013 Å
α	63.853 ± 0.003°
β	86.986 ± 0.004°
γ	84.516 ± 0.004°
Cell volume	2711.2 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1104
Residual factor for significantly intense reflections	0.0777
Weighted residual factors for significantly intense reflections	0.2297
Weighted residual factors for all reflections included in the refinement	0.2378
Goodness-of-fit parameter for all reflections included in the refinement	1.056
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
219307 (current)	2019-10-12	cif/ Adding structures of 7701357, 7701358, 7701359 via cif-deposit CGI script.	7701358.cif