Crystallography Open Database

Information card for entry 7700400

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Coordinates	7700400.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H22 N2 O6 Pd2
Calculated formula	C28 H22 N2 O6 Pd2
Title of publication	Hemilabile bonding of 1-oxa-4,7-dithiacyclononane in cyclometallated palladium(ii) complexes.
Authors of publication	Janzen, Daron E.; Bruening, Meaghan A.; Mamiya, Arthur A.; Driscoll, Laura E.; da Silva Filho, Demetrio A.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	30
Pages of publication	11520 - 11535
a	9.9503 ± 0.0017 Å
b	10.8027 ± 0.0018 Å
c	13.062 ± 0.002 Å
α	87.421 ± 0.006°
β	71.412 ± 0.005°
γ	68.718 ± 0.005°
Cell volume	1236.1 ± 0.4 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0465
Residual factor for significantly intense reflections	0.0342
Weighted residual factors for significantly intense reflections	0.0768
Weighted residual factors for all reflections included in the refinement	0.0817
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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