Crystallography Open Database

Information card for entry 7706711

Preview

Coordinates	7706711.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H41 B Br2 Mn N4 O2
Calculated formula	C46 H41 B Br2 Mn N4 O2
Title of publication	Effect of ligand substituents and tuning the spin-state switching in manganese(iii) complexes.
Authors of publication	Ghosh, Subrata; Bagchi, Sukanya; Kamilya, Sujit; Mondal, Abhishake
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	13
Pages of publication	4634 - 4642
a	14.2943 ± 0.0011 Å
b	21.858 ± 0.0017 Å
c	14.4084 ± 0.0012 Å
α	90°
β	116.226 ± 0.003°
γ	90°
Cell volume	4038.4 ± 0.6 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.2012
Residual factor for significantly intense reflections	0.0712
Weighted residual factors for significantly intense reflections	0.1437
Weighted residual factors for all reflections included in the refinement	0.1839
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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
266057 (current)	2021-06-05	cif/ Updating files of 7706708, 7706709, 7706710, 7706711, 7706712 Original log message: Adding full bibliography for 7706708--7706712.cif.	7706711.cif
262336	2021-03-02	cif/ Adding structures of 7706708, 7706709, 7706710, 7706711, 7706712 via cif-deposit CGI script.	7706711.cif