Crystallography Open Database

Information card for entry 7104617

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Coordinates	7104617.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H100 N40.14 O41.32 Pd6
Calculated formula	C76 H100 N40.14 O41.32 Pd6
Title of publication	Engineering noncovalent spin-spin interactions in an organic-pillared spin cage.
Authors of publication	Ozaki, Yusuke; Kawano, Masaki; Fujita, Makoto
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2009
Journal volume	34
Journal issue	28
Pages of publication	4245 - 4247
a	25.7945 ± 0.0005 Å
b	16.1002 ± 0.0003 Å
c	28.5387 ± 0.0008 Å
α	90°
β	104.112 ± 0.0012°
γ	90°
Cell volume	11494.3 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
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	0.1304
Residual factor for significantly intense reflections	0.0736
Weighted residual factors for significantly intense reflections	0.1979
Weighted residual factors for all reflections included in the refinement	0.2296
Goodness-of-fit parameter for all reflections included in the refinement	0.929
Diffraction radiation wavelength	0.6889 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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