Crystallography Open Database

Information card for entry 4069809

Preview

Coordinates	4069809.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58.67 H68 Cl9.33 O3 P2 Pd2
Calculated formula	C56.6667 H64 Cl5.32667 O3 P2 Pd2
Title of publication	Synthesis, Coordination Characteristics, Conformational Behavior, and Bond Reactivity Studies of a Novel Chiral Phosphapalladacycle Complex
Authors of publication	Ding, Yi; Chiang, Minyi; Pullarkat, Sumod A.; Li, Yongxin; Leung, Pak-Hing
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	15
Pages of publication	4358
a	25.8527 ± 0.0014 Å
b	25.8527 ± 0.0014 Å
c	9.6397 ± 0.0013 Å
α	90°
β	90°
γ	120°
Cell volume	5579.6 ± 0.9 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	147
Hermann-Mauguin space group symbol	P -3
Hall space group symbol	-P 3
Residual factor for all reflections	0.1156
Residual factor for significantly intense reflections	0.0807
Weighted residual factors for significantly intense reflections	0.2404
Weighted residual factors for all reflections included in the refinement	0.2754
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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