Crystallography Open Database

Information card for entry 7052556

Preview

Coordinates	7052556.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H34 Cu4 Mo8 N12 O27
Calculated formula	C20 H32 Cu4 Mo8 N12 O27
Title of publication	Three 3D octamolybdate-based hybrids with 1D‒3D CuI/CuII-bis(triazole) motifs: influence of the amount of Et3N
Authors of publication	Zhang, Chun-Jing; Pang, Hai-Jun; Tang, Qun; Wang, Hui-Yuan; Chen, Ya-Guang
Journal of publication	New Journal of Chemistry
Year of publication	2011
Journal volume	35
Journal issue	1
Pages of publication	190
a	13.295 ± 0.001 Å
b	20.188 ± 0.001 Å
c	9.613 ± 0.001 Å
α	90°
β	120.191 ± 0.006°
γ	90°
Cell volume	2230.1 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0542
Residual factor for significantly intense reflections	0.032
Weighted residual factors for significantly intense reflections	0.0661
Weighted residual factors for all reflections included in the refinement	0.0681
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180079 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/25.	7052556.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7052556.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7052556.cif
14950	2011-03-12	../uploads/cif-deposit/cod/cif Adding structures of 7052556, 7052557, 7052558 via cif-deposit CGI script.	7052556.cif