Crystallography Open Database

Information card for entry 4103740

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Coordinates	4103740.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H48 N4 O12 Si
Calculated formula	C36 H48 N4 O12 Si0.25
Title of publication	Deformation of Porous Molecular Networks Induced by the Exchange of Guests in Single Crystals
Authors of publication	Okba Saied; Thierry Maris; James D. Wuest
Journal of publication	Journal of the American Chemical Society
Year of publication	2003
Journal volume	125
Pages of publication	14956 - 14957
a	15.4599 ± 0.0008 Å
b	15.4599 ± 0.0008 Å
c	8.7993 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	2103.11 ± 0.19 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	5
Space group number	86
Hermann-Mauguin space group symbol	P 42/n :2
Hall space group symbol	-P 4bc
Residual factor for all reflections	0.1147
Residual factor for significantly intense reflections	0.0708
Weighted residual factors for significantly intense reflections	0.1777
Weighted residual factors for all reflections included in the refinement	0.1956
Goodness-of-fit parameter for all reflections included in the refinement	1.074
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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