Crystallography Open Database

Information card for entry 7000801

Preview

Coordinates	7000801.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H38 Br2 N4 Pd
Calculated formula	C30 H38 Br2 N4 Pd
SMILES	[Pd](=C(Nc1c(cccc1C)C)Nc1c(cccc1C)C)(Br)(Br)=C1N(c2ccccc2N1C(C)C)C(C)C
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	27.983 ± 0.003 Å
b	16.8551 ± 0.0017 Å
c	13.076 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	6167.4 ± 1.1 Å³
Cell temperature	243 ± 2 K
Ambient diffraction temperature	243 ± 2 K
Number of distinct elements	5
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.1063
Residual factor for significantly intense reflections	0.0581
Weighted residual factors for significantly intense reflections	0.1251
Weighted residual factors for all reflections included in the refinement	0.1414
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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