Crystallography Open Database

Information card for entry 4060607

Preview

Coordinates	4060607.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H7 O3 Re
Calculated formula	C11 H7 O3 Re
SMILES	[Re]1234([cH]5[c]63C=CC[c]46[cH]2[cH]15)(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	6.0714 ± 0.0002 Å
b	6.8277 ± 0.0003 Å
c	12.4527 ± 0.0005 Å
α	92.143 ± 0.002°
β	90.633 ± 0.002°
γ	101.523 ± 0.002°
Cell volume	505.36 ± 0.03 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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