Crystallography Open Database

Information card for entry 7702182

Preview

Coordinates	7702182.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H20 Mn N2
Calculated formula	C20 H20 Mn N2
Title of publication	Structural diversity in pyridine and polypyridine adducts of ring slipped manganocene: correlating ligand steric bulk with quantified deviation from ideal hapticity.
Authors of publication	Cannella, Anthony F.; Dey, Suman Kr; MacMillan, Samantha N.; Lacy, David C.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	15
Pages of publication	5171 - 5180
a	7.8832 ± 0.0007 Å
b	17.663 ± 0.0019 Å
c	12.5197 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	1743.3 ± 0.3 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	4
Space group number	41
Hermann-Mauguin space group symbol	A e a 2
Hall space group symbol	A 2 -2ab
Residual factor for all reflections	0.0511
Residual factor for significantly intense reflections	0.0378
Weighted residual factors for significantly intense reflections	0.0869
Weighted residual factors for all reflections included in the refinement	0.0925
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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