Crystallography Open Database

Information card for entry 1561581

Preview

Coordinates	1561581.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13.65 H8.24 Ga O7.82
Calculated formula	C13.6471 H6.82353 Ga O7.82353
Title of publication	Hydrothermal crystal growth and Vernier structures of the metal benzenedicarboxylates MIL-47 and MIL-53 containing guest molecules of benzenecarboxylic acid
Authors of publication	Wang, Xiqu; Jacobson, Allan J.
Journal of publication	Journal of Solid State Chemistry
Year of publication	2016
Journal volume	236
Pages of publication	230 - 235
a	114.562 ± 0.005 Å
b	12.1503 ± 0.0005 Å
c	17.4275 ± 0.0007 Å
α	90°
β	89.999 ± 0.001°
γ	90°
Cell volume	24258.4 ± 1.8 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.2135
Residual factor for significantly intense reflections	0.1473
Weighted residual factors for significantly intense reflections	0.3661
Weighted residual factors for all reflections included in the refinement	0.3981
Goodness-of-fit parameter for all reflections included in the refinement	1.006
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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