Crystallography Open Database

Information card for entry 7718339

Preview

Coordinates	7718339.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H40 Br0.7 Mn N4.3 O4.9
Calculated formula	C30 H40 Br0.7 Mn N4.3 O4.9
Title of publication	Modulation of the spin crossover behaviour in four manganese(III) complexes through cation-anion interactions.
Authors of publication	Malik, Suvamoy; Brandão, Paula; Benmansour, Samia; Gómez-García, Carlos J; Saha, Amrita
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2025
Journal volume	54
Journal issue	16
Pages of publication	6645 - 6652
a	8.1594 ± 0.0002 Å
b	20.3505 ± 0.0004 Å
c	17.5553 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	2915.02 ± 0.1 Å³
Cell temperature	100.15 K
Ambient diffraction temperature	100.15 K
Number of distinct elements	6
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.0565
Residual factor for significantly intense reflections	0.0419
Weighted residual factors for significantly intense reflections	0.0919
Weighted residual factors for all reflections included in the refinement	0.097
Goodness-of-fit parameter for all reflections included in the refinement	1.076
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
300840 (current)	2025-07-06	cif/ Updating files of 7718333, 7718334, 7718335, 7718336, 7718337, 7718338, 7718339, 7718340 Original log message: Adding full bibliography for 7718333--7718340.cif.	7718339.cif
298481	2025-03-18	cif/ Adding structures of 7718333, 7718334, 7718335, 7718336, 7718337, 7718338, 7718339, 7718340 via cif-deposit CGI script.	7718339.cif