Crystallography Open Database

Information card for entry 7029700

Preview

Coordinates	7029700.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H92 Cu4 N16 Nb8 O42 Ti2
Calculated formula	C16 H32 Cu4 N16 Nb8 O43 Ti2
Title of publication	A novel organic-inorganic hybrid constructed from the Nyman-type dititanoniobate [Ti2Nb8O28](8-) and copper-organic cations.
Authors of publication	Zhang, Yu-Teng; Huang, Peng; Qin, Chao; Yan, Li-Kai; Song, Bai-Qiao; Yang, Zhao-Xia; Shao, Kui-Zhan; Su, Zhong-Min
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	26
Pages of publication	9847 - 9850
a	11.059 ± 0.005 Å
b	12.347 ± 0.005 Å
c	15.178 ± 0.005 Å
α	102.834 ± 0.005°
β	109.562 ± 0.005°
γ	105.878 ± 0.005°
Cell volume	1762.2 ± 1.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0473
Residual factor for significantly intense reflections	0.0422
Weighted residual factors for significantly intense reflections	0.1358
Weighted residual factors for all reflections included in the refinement	0.1422
Goodness-of-fit parameter for all reflections included in the refinement	1.003
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180003 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/97.	7029700.cif
119442	2014-07-07	cif/ Updating files of 7029700 Original log message: Adding full bibliography for 7029700.cif.	7029700.cif
109498	2014-04-15	cif/ Adding structures of 7029700 via cif-deposit CGI script.	7029700.cif