Crystallography Open Database

Information card for entry 7040205

Preview

Coordinates	7040205.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H39 Cl2 Mn N11 O11 S3
Calculated formula	C43.9998 H38.9997 Cl2 Mn N11 O11 S3
Title of publication	Co-ordination behaviour of a novel tristhiourea tripodal ligand; structural variations in a series of transition metal complexes.
Authors of publication	Saad, Fawaz A.; Knight, James C.; Kariuki, Benson M.; Amoroso, Angelo J.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	25
Pages of publication	10280 - 10288
a	13.737 ± 0.0004 Å
b	13.737 ± 0.0013 Å
c	44.111 ± 0.0015 Å
α	90°
β	90°
γ	120°
Cell volume	7208.8 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.1343
Residual factor for significantly intense reflections	0.0739
Weighted residual factors for significantly intense reflections	0.1455
Weighted residual factors for all reflections included in the refinement	0.1632
Goodness-of-fit parameter for all reflections included in the refinement	0.939
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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