Crystallography Open Database

Information card for entry 7715893

Preview

Coordinates	7715893.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	exp_603
Formula	C34 H36 F3 Mn N5 Na2 O9 S
Calculated formula	C30 H30 F3 Mn N3 Na2 O9 S
Title of publication	Heterobimetallic 3d-4f complexes supported by a Schiff-base tripodal ligand
Authors of publication	Musgrave, Rebecca A.; Thompson, Benedict C.; Graycon, Daniel; Hebron, Denny; Neumann, Till; Roessler, Maxie; Collauto, Alberto; Wilson, Daniel
Journal of publication	Dalton Transactions
Year of publication	2024
a	11.6556 ± 0.0005 Å
b	13.3317 ± 0.0005 Å
c	13.5391 ± 0.0006 Å
α	104.826 ± 0.004°
β	106.697 ± 0.004°
γ	105.433 ± 0.004°
Cell volume	1812.26 ± 0.16 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0536
Residual factor for significantly intense reflections	0.0504
Weighted residual factors for significantly intense reflections	0.1428
Weighted residual factors for all reflections included in the refinement	0.1473
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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