Crystallography Open Database

Information card for entry 7238099

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Coordinates	7238099.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H42 I2 N4 O4 Pd
Calculated formula	C42 H42 I2 N4 O4 Pd
Title of publication	Engineering organic/inorganic diols that reversibly capture and release volatile guests
Authors of publication	Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro
Journal of publication	CrystEngComm
Year of publication	2005
Journal volume	7
Journal issue	86
Pages of publication	527
a	7.0847 ± 0.0004 Å
b	12.3248 ± 0.0006 Å
c	12.7151 ± 0.0007 Å
α	88.999 ± 0.001°
β	74.24 ± 0.001°
γ	86.511 ± 0.001°
Cell volume	1066.53 ± 0.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0373
Residual factor for significantly intense reflections	0.0308
Weighted residual factors for significantly intense reflections	0.0821
Weighted residual factors for all reflections included in the refinement	0.0872
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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