Crystallography Open Database

Information card for entry 2105253

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Coordinates	Coordinates are not available: file is not found.
Structure factors	2105253.hkl
Original IUCr paper	HTML

Structure parameters

Formula	C21 H25.5 Gd N4.5 O12
Calculated formula	C21 H25.5 Gd N4.5 O12
Title of publication	Topological studies of three related metal-organic frameworks of Gd^III^ and 5-nitroisophthalate
Authors of publication	Davies, Kate; Bourne, Susan A.; Öhrström, Lars; Oliver, Clive L.
Journal of publication	Acta Crystallographica Section B
Year of publication	2012
Journal volume	68
Journal issue	5
Pages of publication	528 - 535
a	21.622 ± 0.004 Å
b	16.8 ± 0.003 Å
c	16.317 ± 0.003 Å
α	90°
β	119.628 ± 0.004°
γ	90°
Cell volume	5152.2 ± 1.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.024
Residual factor for significantly intense reflections	0.0193
Weighted residual factors for significantly intense reflections	0.0484
Weighted residual factors for all reflections included in the refinement	0.0507
Goodness-of-fit parameter for all reflections included in the refinement	1.063
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

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