Crystallography Open Database

Information card for entry 7207521

7207520 << 7207521 >> 7207522

Preview

Coordinates	7207521.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H68 Cu2 N10 O12
Calculated formula	C42 H60 Cu2 N10 O12
SMILES	c1c(CN2C[NH]3CC[NH]4CCC[NH]5CC[NH](C2)[Cu]345)ccc(c1)CN1C[NH]2CC[NH]3CCC[NH]4CC[NH](C1)[Cu]234.O=C([O-])c1ccc(C(=O)[O-])cc1.O.O.[O-]C(=O)c1ccc(C(=O)[O-])cc1.O.O
Title of publication	Guest-dependent host structures and host-induced guest assemblies
Authors of publication	Park, Hye Jeong; Suh, Myunghyun Paik
Journal of publication	CrystEngComm
Year of publication	2012
Journal volume	14
Journal issue	8
Pages of publication	2748
a	7.8814 ± 0.0004 Å
b	16.4329 ± 0.0013 Å
c	18.0521 ± 0.0013 Å
α	90°
β	90.406 ± 0.004°
γ	90°
Cell volume	2337.9 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.1067
Residual factor for significantly intense reflections	0.0639
Weighted residual factors for significantly intense reflections	0.1664
Weighted residual factors for all reflections included in the refinement	0.2061
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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
180406 (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 7/20/75.	7207521.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7207521.cif
52027	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 7207521, 7207522, 7207523, 7207524 via cif-deposit CGI script.	7207521.cif