Crystallography Open Database

Information card for entry 4345220

Preview

Coordinates	4345220.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H48 Cu6 Mo6 N12 O62 Si W12
Calculated formula	C60 H48 Cu6 Mo6 N12 O62 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	13.973 ± 0.005 Å
b	20.115 ± 0.007 Å
c	17.252 ± 0.006 Å
α	90°
β	94.283 ± 0.004°
γ	90°
Cell volume	4835 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	298.15 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0742
Residual factor for significantly intense reflections	0.0553
Weighted residual factors for significantly intense reflections	0.1616
Weighted residual factors for all reflections included in the refinement	0.1774
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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.	4345220.cif
192199	2017-02-17	cif/ Adding structures of 4345220, 4345221, 4345222, 4345223, 4345224 via cif-deposit CGI script.	4345220.cif