Crystallography Open Database

Information card for entry 4345224

Preview

Coordinates	4345224.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H32 Cu2 N8 O42 Si W12
Calculated formula	C40 H32 Cu2 N8 O42 Si W12
Title of publication	Two Unprecedented POM-Based Inorganic-Organic Hybrids with Concomitant Heteropolytungstate and Molybdate.
Authors of publication	Li, Yun-Wu; Guo, Ling-Yu; Su, Hai-Feng; Jagodič, Marko; Luo, Ming; Zhou, Xiao-Qi; Zeng, Su-Yuan; Tung, Chen-Ho; Sun, Di; Zheng, Lan-Sun
Journal of publication	Inorganic chemistry
Year of publication	2017
Journal volume	56
Journal issue	5
Pages of publication	2481 - 2489
a	17.1442 ± 0.0008 Å
b	18.398 ± 0.0007 Å
c	20.6284 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	6506.6 ± 0.5 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298.15 K
Number of distinct elements	7
Space group number	61
Hermann-Mauguin space group symbol	P c a b
Hall space group symbol	-P 2bc 2ac
Residual factor for all reflections	0.0986
Residual factor for significantly intense reflections	0.0838
Weighted residual factors for significantly intense reflections	0.1799
Weighted residual factors for all reflections included in the refinement	0.1851
Goodness-of-fit parameter for all reflections included in the refinement	1.394
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
194797 (current)	2017-04-04	cif/ Updating files of 4345220, 4345221, 4345222, 4345223, 4345224 Original log message: Adding full bibliography for 4345220--4345224.cif.	4345224.cif
192199	2017-02-17	cif/ Adding structures of 4345220, 4345221, 4345222, 4345223, 4345224 via cif-deposit CGI script.	4345224.cif