Crystallography Open Database

Information card for entry 4000582

Preview

Coordinates	4000582.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H29 B F24 N3 O3 Re
Calculated formula	C50 H29 B F24 N3 O3 Re
SMILES	[Re]1([n]2ccccc2c2[n]1cccc2)(C#[O])(C#[O])(C#[O])C#[N]C(C)(C)C.FC(F)(F)c1cc(cc(c1)C(F)(F)F)[B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Journal of publication	Chemistry of Materials
Year of publication	2005
a	16.3679 ± 0.0003 Å
b	16.989 ± 0.0003 Å
c	18.9093 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	5258.19 ± 0.17 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 1 K
Number of distinct elements	7
Space group number	33
Hermann-Mauguin space group symbol	P b n 21
Hall space group symbol	P 2c -2ab
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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