Crystallography Open Database

Information card for entry 7022211

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Coordinates	7022211.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H46 Cu4 N4 O23
Calculated formula	C42 H46 Cu4 N4 O23
Title of publication	Four 3D "brick-wall"-like metal-organic frameworks with a flexible ligand of (S,S,R,R)-1,2,3,4-cyclopentanetetracarboxylic acid: crystal structures, luminescent and magnetic properties.
Authors of publication	Cui, Lin; Luan, Xin-Jun; Zhang, Cui-Ping; Kang, Yi-Fan; Zhang, Wen-Tao; Wang, Yao-Yu; Shi, Qi-Zhen
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	5
Pages of publication	1637 - 1644
a	9.0724 ± 0.0012 Å
b	9.1553 ± 0.0012 Å
c	27.683 ± 0.004 Å
α	90°
β	98.481 ± 0.002°
γ	90°
Cell volume	2274.2 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
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	0.072
Residual factor for significantly intense reflections	0.0448
Weighted residual factors for significantly intense reflections	0.115
Weighted residual factors for all reflections included in the refinement	0.1397
Goodness-of-fit parameter for all reflections included in the refinement	1.002
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
179927 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/22.	7022211.cif
90010	2013-11-17	cif/ Adding structures of 7022211, 7022212, 7022213, 7022214 via cif-deposit CGI script.	7022211.cif