Crystallography Open Database

Information card for entry 7018016

Preview

Coordinates	7018016.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H159 Al12 B65 N12 O153
Calculated formula	C30 Al12 B65 N12 O153
Title of publication	Synthesis and structure of QD-6: a novel aluminoborate constructed from unprecedented [B@Al6O24] and polyborate clusters.
Authors of publication	Wang, Guo-Ming; Li, Jin-Hua; Wang, Pei; Li, Zeng-Xin; Wang, Ying-Xia; Wang, Zhe-Ming; Lin, Jian-Hua
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	3
Pages of publication	734 - 736
a	23.7421 ± 0.0002 Å
b	23.7421 ± 0.0002 Å
c	24.7699 ± 0.0003 Å
α	90°
β	90°
γ	120°
Cell volume	12091.9 ± 0.2 Å³
Cell temperature	160 ± 2 K
Ambient diffraction temperature	160 ± 2 K
Number of distinct elements	6
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0861
Residual factor for significantly intense reflections	0.057
Weighted residual factors for significantly intense reflections	0.1633
Weighted residual factors for all reflections included in the refinement	0.1766
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179884 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/80.	7018016.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7018016.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7018016.cif
33493	2012-02-12	../uploads/cif-deposit/cod/cif Adding structures of 7018016 via cif-deposit CGI script.	7018016.cif