Crystallography Open Database

Information card for entry 7026423

Preview

Coordinates	7026423.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H76 Cl10 N10 Pd2
Calculated formula	C66 H76 Cl10 N10 Pd2
Title of publication	Pd2L2 metallacycles as molecular containers for small molecules.
Authors of publication	Zhang, Qian; He, Lisi; Liu, Jun-Min; Wang, Wei; Zhang, Jianyong; Su, Cheng-Yong
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	46
Pages of publication	11171 - 11179
a	17.6272 ± 0.001 Å
b	16.799 ± 0.001 Å
c	14.8756 ± 0.001 Å
α	90°
β	122.78 ± 0.01°
γ	90°
Cell volume	3703.5 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.1029
Residual factor for significantly intense reflections	0.073
Weighted residual factors for significantly intense reflections	0.1801
Weighted residual factors for all reflections included in the refinement	0.2148
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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