Crystallography Open Database

Information card for entry 4073700

Preview

Coordinates	4073700.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H80 Ir2 N4 P2
Calculated formula	C32 H80 Ir2 N4 P2
SMILES	C1C[NH](CCN(CC)CC)[IrH2]23([P]1(C(C)(C)C)C(C)(C)C)[H][IrH2]12([NH](CC[P]1(C(C)(C)C)C(C)(C)C)CCN(CC)CC)[H]3
Title of publication	Hemilabile Pincer-Type Hydride Complexes of Iridium
Authors of publication	Choualeb, Aldjia; Lough, Alan J.; Gusev, Dmitry G.
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Journal issue	21
Pages of publication	5224
a	24.221 ± 0.005 Å
b	6.854 ± 0.0014 Å
c	24.793 ± 0.005 Å
α	90°
β	95.9 ± 0.03°
γ	90°
Cell volume	4094.1 ± 1.5 Å³
Cell temperature	200 ± 1 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0562
Residual factor for significantly intense reflections	0.0439
Weighted residual factors for significantly intense reflections	0.11
Weighted residual factors for all reflections included in the refinement	0.1183
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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