Crystallography Open Database

Information card for entry 4060604

Preview

Coordinates	4060604.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H10 Mn2 O6
Calculated formula	C16 H10 Mn2 O6
SMILES	[Mn]1234([c]5([cH]1[cH]2[c]124[cH]4[Mn]671([cH]4[cH]6[c]3527)(C#[O])(C#[O])C#[O])CC)(C#[O])(C#[O])C#[O]
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	6.8632 ± 0.0001 Å
b	11.3219 ± 0.0001 Å
c	20.228 ± 0.0004 Å
α	90°
β	91.895 ± 0.001°
γ	90°
Cell volume	1570.95 ± 0.04 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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