Crystallography Open Database

Information card for entry 7224112

Preview

Coordinates	7224112.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H37 Cu4 N8 Na0 Nb3 O22 W3
Calculated formula	C8 H32 Cu4 N8 Nb3 O21 W3
Title of publication	A rare polyniobotungstate-based framework and its structural transformation in a single-crystal-to-single-crystal process induced by iodide ions
Authors of publication	Jin, Lu; Li, Xin-Xiong; Zhao, Dan; Li, Hao-Hong; Zheng, Shou-Tian
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	10
Pages of publication	1705
a	11.2042 ± 0.0013 Å
b	14.7102 ± 0.0017 Å
c	9.5638 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	1576.3 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	8
Space group number	58
Hermann-Mauguin space group symbol	P n n m
Hall space group symbol	-P 2 2n
Residual factor for all reflections	0.0537
Residual factor for significantly intense reflections	0.0506
Weighted residual factors for significantly intense reflections	0.1317
Weighted residual factors for all reflections included in the refinement	0.1525
Goodness-of-fit parameter for all reflections included in the refinement	1.357
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
177750 (current)	2016-03-05	cif/ Updating files of 7224112 Original log message: Adding full bibliography for 7224112.cif.	7224112.cif
175446	2016-02-03	cif/ Adding structures of 7224112 via cif-deposit CGI script.	7224112.cif