Crystallography Open Database

Information card for entry 7202251

7202250 << 7202251 >> 7202252

Preview

Coordinates	7202251.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H26 Cu4 N4 O18 S
Calculated formula	C38 H22 Cu4 N4 O18 S
Title of publication	Three novel 3D metal‒organic frameworks with a 1D ladder, tube or chain as assembly units
Authors of publication	He, Haiyan; Dai, Fangna; Xie, Aiping; Tong, Xin; Sun, Daofeng
Journal of publication	CrystEngComm
Year of publication	2008
Journal volume	10
Journal issue	10
Pages of publication	1429
a	33.5656 ± 0.0008 Å
b	6.6676 ± 0.0002 Å
c	21.2236 ± 0.0005 Å
α	90°
β	126.742 ± 0.001°
γ	90°
Cell volume	3806.26 ± 0.18 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0811
Residual factor for significantly intense reflections	0.0606
Weighted residual factors for significantly intense reflections	0.1588
Weighted residual factors for all reflections included in the refinement	0.1718
Goodness-of-fit parameter for all reflections included in the refinement	1.101
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
180353 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/22.	7202251.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7202251.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7202251.cif
1173	2010-05-16	cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing.	7202251.cif