Crystallography Open Database

Information card for entry 7702181

Preview

Coordinates	7702181.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H52 Mn2 N4 O
Calculated formula	C48 H52 Mn2 N4 O
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	14.7987 ± 0.0008 Å
b	16.8841 ± 0.0009 Å
c	8.5878 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	2145.8 ± 0.2 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	5
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.0429
Residual factor for significantly intense reflections	0.0349
Weighted residual factors for significantly intense reflections	0.0894
Weighted residual factors for all reflections included in the refinement	0.0935
Goodness-of-fit parameter for all reflections included in the refinement	1.112
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	7702181.cif