Crystallography Open Database

Information card for entry 7702180

Preview

Coordinates	7702180.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H18 Mn N2
Calculated formula	C22 H18 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	11.0154 ± 0.0006 Å
b	26.5037 ± 0.0015 Å
c	11.5756 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	3379.5 ± 0.3 Å³
Cell temperature	90 K
Ambient diffraction temperature	90 K
Number of distinct elements	4
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.06
Residual factor for significantly intense reflections	0.045
Weighted residual factors for significantly intense reflections	0.0984
Weighted residual factors for all reflections included in the refinement	0.1045
Goodness-of-fit parameter for all reflections included in the refinement	1.073
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
236827 (current)	2019-11-24	cif/ Adding structures of 7702178, 7702179, 7702180, 7702181, 7702182, 7702183, 7702184, 7702185 via cif-deposit CGI script.	7702180.cif