Crystallography Open Database

Information card for entry 1101156

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Coordinates	1101156.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H41 B8 Fe2 N O7 P2
Calculated formula	C44 H41 B8 Fe2 N O7 P2
SMILES	[Fe]123([Fe]([B]4561[BH]178[BH]9%10%11[BH]%1241[BH]1%11([CH2]%10[BH]479[H][BH]3684)[H][BH]25%121)(C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O].N(=P(c1ccccc1)(c1ccccc1)c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Ten-Vertex Iron‒Monocarborane Complexes: Synthesis and Reactivity of the Anion [4,9-{Fe(CO)~4~}-9,9,9-(CO)~3~-arachno-9,6-FeCB~8~H~11~]^-^
Authors of publication	Franken, Andreas; McGrath, Thomas D.; Stone, F. Gordon A.
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	6
Pages of publication	2669 - 2677
a	16.2454 ± 0.0012 Å
b	56.345 ± 0.004 Å
c	16.3333 ± 0.0013 Å
α	90°
β	113.414 ± 0.004°
γ	90°
Cell volume	13719.6 ± 1.8 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Duplicate of	4300712
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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