Crystallography Open Database

Information card for entry 2008879

2008878 << 2008879 >> 2008880

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Coordinates	Coordinates are not available: file is not found.
Structure factors	2008879.hkl
Original IUCr paper	HTML

Structure parameters

Formula	C14 H34 Cl2 N4 O2 Pd
Calculated formula	C14 H34 Cl2 N4 O2 Pd
SMILES	[Pd]123(Cl)[N]45CC[N]1(CCC[N]2(CC[N]3(CCC4)C)CC5)C.[Cl-].O.O
Title of publication	The square-pyramidal Pd^II^ complex of a cross-bridged tetraazamacrocycle
Authors of publication	Hubin, Timothy J.; Alcock, Nathaniel W.; Busch, Daryle H.
Journal of publication	Acta Crystallographica Section C
Year of publication	1999
Journal volume	55
Journal issue	9
Pages of publication	1404 - 1406
a	29.7207 ± 0.0013 Å
b	7.7934 ± 0.0003 Å
c	17.2154 ± 0.0007 Å
α	90°
β	102.392 ± 0.001°
γ	90°
Cell volume	3894.6 ± 0.3 Å³
Cell temperature	188 ± 2 K
Ambient diffraction temperature	188 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.066
Residual factor for significantly intense reflections	0.0382
Weighted residual factors for all reflections	0.0888
Weighted residual factors for all reflections included in the refinement	0.0819
Goodness-of-fit parameter for all reflections	0.945
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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