Crystallography Open Database

Information card for entry 7052558

Preview

Coordinates	7052558.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H64 Cu4 Mo8 N24 O26
Calculated formula	C40 H64 Cu4 Mo8 N24 O26
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	10.85 ± 0.001 Å
b	12.843 ± 0.001 Å
c	14.74 ± 0.001 Å
α	112.112 ± 0.005°
β	100.83 ± 0.004°
γ	98.902 ± 0.004°
Cell volume	1810.7 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1646
Residual factor for significantly intense reflections	0.0596
Weighted residual factors for significantly intense reflections	0.0774
Weighted residual factors for all reflections included in the refinement	0.0851
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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
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.	7052558.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7052558.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7052558.cif
14950	2011-03-12	../uploads/cif-deposit/cod/cif Adding structures of 7052556, 7052557, 7052558 via cif-deposit CGI script.	7052558.cif