Crystallography Open Database

Information card for entry 7015889

Preview

Coordinates	7015889.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C85 H121 In6 N24 O40.5
Calculated formula	C85 H111 In6 N24 O40.5
Title of publication	Entropically driven self-assembly of a strained hexanuclear indium metal-organic macrocycle and its behavior in solution.
Authors of publication	Oh, Minhak; Liu, Xinfang; Park, Mira; Kim, Dongwook; Moon, Dohyun; Lah, Myoung Soo
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2011
Journal volume	40
Journal issue	21
Pages of publication	5720 - 5727
a	22.955 ± 0.005 Å
b	47.028 ± 0.009 Å
c	20.745 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	22395 ± 8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	45
Hermann-Mauguin space group symbol	I b a 2
Hall space group symbol	I 2 -2c
Residual factor for all reflections	0.0841
Residual factor for significantly intense reflections	0.0554
Weighted residual factors for significantly intense reflections	0.1297
Weighted residual factors for all reflections included in the refinement	0.1425
Goodness-of-fit parameter for all reflections included in the refinement	0.957
Diffraction radiation wavelength	0.7 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7015889.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7015889.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7015889.cif
21375	2011-06-22	../uploads/cif-deposit/cod/cif Adding structures of 7015889, 7015890 via cif-deposit CGI script.	7015889.cif