Crystallography Open Database

Information card for entry 7000806

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Coordinates	7000806.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H27 Br2 N3 Pd
Calculated formula	C18 H27 Br2 N3 Pd
SMILES	[Pd](Br)(Br)(=C1N(c2ccccc2N1C(C)C)C(C)C)C#[N]CCCC
Title of publication	Mixed carbene‒isocyanide Pd(ii) complexes: synthesis, structures and reactivity towards nucleophiles
Authors of publication	Han, Yuan; Huynh, Han Vinh
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	12
Pages of publication	2201 - 2209
a	10.1986 ± 0.0005 Å
b	13.0958 ± 0.0006 Å
c	16.219 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	2166.19 ± 0.17 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0256
Residual factor for significantly intense reflections	0.0227
Weighted residual factors for significantly intense reflections	0.0487
Weighted residual factors for all reflections included in the refinement	0.0493
Goodness-of-fit parameter for all reflections included in the refinement	0.989
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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