Crystallography Open Database

Information card for entry 4060605

Preview

Coordinates	4060605.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H12 Mn2 O6
Calculated formula	C17 H12 Mn2 O6
SMILES	[O]#C[Mn]1234(C#[O])(C#[O])[cH]5[c]673[Mn]389(C#[O])(C#[O])(C#[O])[cH]6[cH]8[cH]3[c]479[c]1(C(C)C)[cH]25
Title of publication	New Monoalkylated Pentalene Ligands
Authors of publication	O'Hare, Dermot; Jones, Simon; Roussel, Paul; Hascall, Tony
Journal of publication	Organometallics
Year of publication	2006
a	17.4102 ± 0.0007 Å
b	6.7355 ± 0.0002 Å
c	14.2396 ± 0.0005 Å
α	90°
β	96.003 ± 0.001°
γ	90°
Cell volume	1660.67 ± 0.1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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