Crystallography Open Database

Information card for entry 7702178

Preview

Coordinates	7702178.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H54 Mn3 N6
Calculated formula	C60 H54 Mn3 N6
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	18.5006 ± 0.0008 Å
b	20.7775 ± 0.001 Å
c	30.929 ± 0.0013 Å
α	90°
β	102.732 ± 0.0014°
γ	90°
Cell volume	11596.7 ± 0.9 Å³
Cell temperature	90 K
Ambient diffraction temperature	90 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0391
Residual factor for significantly intense reflections	0.03
Weighted residual factors for significantly intense reflections	0.0722
Weighted residual factors for all reflections included in the refinement	0.0761
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation probe	x-ray
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.	7702178.cif