Crystallography Open Database

Information card for entry 7718334

Preview

Coordinates	7718334.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H40 F6 Mn N4 O4 P
Calculated formula	C30 H39.5 F6 Mn N4 O4 P
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	21.188 ± 0.004 Å
b	13.798 ± 0.003 Å
c	11.8038 ± 0.0019 Å
α	90°
β	105.616 ± 0.006°
γ	90°
Cell volume	3323.5 ± 1.1 Å³
Cell temperature	295 K
Ambient diffraction temperature	295 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0618
Residual factor for significantly intense reflections	0.0551
Weighted residual factors for significantly intense reflections	0.1627
Weighted residual factors for all reflections included in the refinement	0.1733
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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.	7718334.cif
298481	2025-03-18	cif/ Adding structures of 7718333, 7718334, 7718335, 7718336, 7718337, 7718338, 7718339, 7718340 via cif-deposit CGI script.	7718334.cif