Crystallography Open Database

Information card for entry 7011803

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Structure parameters

Formula	C30 H48 N4 P2 Pd
Calculated formula	C30 H48 N4 P2 Pd
SMILES	C([P](CC)(CC)[Pd](N=C=Nc1c(cccc1C)C)(N=C=Nc1c(cccc1C)C)[P](CC)(CC)CC)C
Title of publication	Synthesis, structures and properties of bis(carbodiimido) complexes of Ni(ii), Pd(ii) and Pt(ii)
Authors of publication	Kim, Yong-Joo; Joo, Young-Seon; Han, Jin-Taek; Han, Won Seok; Lee, Soon W.
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2002
Journal issue	18
Pages of publication	3611
a	9.525 ± 0.004 Å
b	14.396 ± 0.005 Å
c	24.183 ± 0.008 Å
α	90°
β	90°
γ	90°
Cell volume	3316 ± 2 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.118
Residual factor for significantly intense reflections	0.0464
Weighted residual factors for significantly intense reflections	0.0921
Weighted residual factors for all reflections included in the refinement	0.1179
Goodness-of-fit parameter for all reflections included in the refinement	0.99
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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