Crystallography Open Database

Information card for entry 7718340

Preview

Coordinates	7718340.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H40 B0.689 F3.907 Mn N4 O4
Calculated formula	C30 H40 B0.69 F3.908 Mn N4 O4
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	20.23 ± 0.002 Å
b	8.2512 ± 0.0006 Å
c	18.3902 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	3069.7 ± 0.4 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	7
Space group number	45
Hermann-Mauguin space group symbol	I b a 2
Hall space group symbol	I 2 -2c
Residual factor for all reflections	0.0641
Residual factor for significantly intense reflections	0.0582
Weighted residual factors for significantly intense reflections	0.1513
Weighted residual factors for all reflections included in the refinement	0.159
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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
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.	7718340.cif
298481	2025-03-18	cif/ Adding structures of 7718333, 7718334, 7718335, 7718336, 7718337, 7718338, 7718339, 7718340 via cif-deposit CGI script.	7718340.cif