Crystallography Open Database

Information card for entry 4129504

Preview

Coordinates	4129504.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Zr6O7.24(OH)0.89L4.31_(H2O)55
Formula	C119.68001 O290.64267 S14.96 Zr20.84
Calculated formula	C119.68 O290.643 S14.96 Zr20.84
Title of publication	The Role of a Three Dimensionally Ordered Defect Sublattice on the Acidity of a Sulfonated Metal-Organic Framework.
Authors of publication	Taylor, Jared M.; Komatsu, Tokutaro; Dekura, Shun; Otsubo, Kazuya; Takata, Masaki; Kitagawa, Hiroshi
Journal of publication	Journal of the American Chemical Society
Year of publication	2015
Journal volume	137
Journal issue	35
Pages of publication	11498 - 11506
a	41.49 ± 0.006 Å
b	41.49 ± 0.006 Å
c	41.49 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	71422 ± 18 Å³
Cell temperature	300 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	204
Hermann-Mauguin space group symbol	I m -3
Hall space group symbol	-I 2 2 3
Residual factor for all reflections	0.01788
RFsqd	0.01787
Residual factor R(I) for significantly intense reflections	0.03898
Goodness-of-fit parameter for all reflections	2.3864
Method of determination	powder diffraction
Diffraction radiation wavelength	0.9998 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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