Crystallography Open Database

Information card for entry 7213678

Preview

Coordinates	7213678.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H22 Cu5 Mo8 N36 O28
Calculated formula	C30 H18 Cu5 Mo8 N36 O28
Title of publication	Tuning the dimension of POM-based inorganic‒organic hybrids from 3D self-penetrating framework to 1D poly-pendant chain via changing POM clusters and introducing secondary spacers
Authors of publication	Li, Shaobin; Ma, Huiyuan; Pang, Haijun; Zhang, Zhuanfang; Yu, Yan; Liu, Heng; Yu, Tingting
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	10
Pages of publication	2045
a	11.0152 ± 0.0005 Å
b	11.7744 ± 0.0005 Å
c	12.4173 ± 0.0006 Å
α	70.921 ± 0.001°
β	86.69 ± 0.001°
γ	89.694 ± 0.001°
Cell volume	1519.33 ± 0.12 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	0.0216
Residual factor for significantly intense reflections	0.0198
Weighted residual factors for significantly intense reflections	0.0525
Weighted residual factors for all reflections included in the refinement	0.0538
Goodness-of-fit parameter for all reflections included in the refinement	1.018
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
180467 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/36.	7213678.cif
105153	2014-03-11	cif/ Adding structures of 7213677, 7213678, 7213679, 7213680 via cif-deposit CGI script.	7213678.cif