Crystallography Open Database

Information card for entry 7100304

Preview

Coordinates	7100304.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H37 Ir N P
Calculated formula	C25 H37 Ir N P
SMILES	[Ir]1234([P](C5C(=Cc6c5cccc6)[N]1(C)C)(C(C)C)C(C)C)[CH]1=[CH]2CC[CH]3=[CH]4CC1
Title of publication	Cationic and Zwitterionic Bidentate Relatives of Crabtree's Hydrogenation Catalyst
Authors of publication	Mark Stradiotto; Judy Cipot; Robert McDonald
Journal of publication	Chemical Communications
Year of publication	2005
a	9.6714 ± 0.0005 Å
b	16.9783 ± 0.0009 Å
c	14.508 ± 0.0007 Å
α	90°
β	109.418 ± 0.0007°
γ	90°
Cell volume	2246.8 ± 0.2 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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