Crystallography Open Database

Information card for entry 7035204

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Coordinates	7035204.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H33 N4 Se2
Calculated formula	C30 H33 N4 Se2
Title of publication	Bis(chalcogenones) as pincer ligands: isolation and Heck activity of the selone-ligated unsymmetrical C,C,Se-Pd pincer complex.
Authors of publication	Ghavale, Ninad; Manjare, Sudesh T.; Singh, Harkesh B.; Butcher, Ray J.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	26
Pages of publication	11893 - 11900
a	9.741 ± 0.0001 Å
b	21.5258 ± 0.0005 Å
c	13.7748 ± 0.0002 Å
α	90°
β	94.404 ± 0.001°
γ	90°
Cell volume	2879.81 ± 0.08 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0768
Residual factor for significantly intense reflections	0.0636
Weighted residual factors for significantly intense reflections	0.1809
Weighted residual factors for all reflections included in the refinement	0.1959
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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