Crystallography Open Database

Information card for entry 4305144

Preview

Coordinates	4305144.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H14 Al B5 N2 O10
Calculated formula	C4 H14 Al B5 N2 O10
Title of publication	QD-2: A Novel Open-Framework Aluminoborate with Intersecting Three-Dimensional Helical Channels
Authors of publication	Guo-Ming Wang; Jin-Hua Li; Hai-Lan Huang; Hui Li; Jing Zhang
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	5039 - 5041
a	9.4352 ± 0.0004 Å
b	10.2972 ± 0.0002 Å
c	13.7511 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	1336 ± 0.08 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.033
Residual factor for significantly intense reflections	0.0319
Weighted residual factors for significantly intense reflections	0.0881
Weighted residual factors for all reflections included in the refinement	0.0895
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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