Crystallography Open Database

Information card for entry 2105255

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Coordinates	Coordinates are not available: file is not found.
Structure factors	2105255.hkl
Original IUCr paper	HTML

Structure parameters

Formula	C76.5 H92.5 Gd4 N15.5 O49.5
Calculated formula	C76.5 H88.5 Gd4 N15.5 O49.5
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	14.3239 ± 0.0017 Å
b	15.3167 ± 0.0018 Å
c	25.468 ± 0.003 Å
α	87.994 ± 0.002°
β	85.151 ± 0.002°
γ	63.419 ± 0.002°
Cell volume	4979.1 ± 1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0576
Residual factor for significantly intense reflections	0.048
Weighted residual factors for significantly intense reflections	0.1141
Weighted residual factors for all reflections included in the refinement	0.1216
Goodness-of-fit parameter for all reflections included in the refinement	1.127
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

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