Crystallography Open Database

Information card for entry 7027042

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Coordinates	7027042.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H26 Cl2 Mn N4 O6
Calculated formula	C26 H26 Cl2 Mn N4 O6
Title of publication	Synthesis and characterisation of manganese(II) compounds with tetradentate ligands based on the bispidine backbone
Authors of publication	Comba, Peter; Kanellakopulos, Basil; Katsichtis, Charis; Lienke, Achim; Pritzkow, Hans; Rominger, Frank
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	1998
Journal issue	23
Pages of publication	3997
a	11.577 ± 0.006 Å
b	11.812 ± 0.006 Å
c	11.951 ± 0.006 Å
α	110.71 ± 0.03°
β	102.5 ± 0.03°
γ	105.15 ± 0.03°
Cell volume	1386.5 ± 1.4 Å³
Cell temperature	203 ± 2 K
Ambient diffraction temperature	203 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0962
Residual factor for significantly intense reflections	0.0516
Weighted residual factors for significantly intense reflections	0.123
Weighted residual factors for all reflections included in the refinement	0.1409
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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