Crystallography Open Database

Information card for entry 1515632

Preview

Coordinates	1515632.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C132 H156 Br12 Co8 N72 O18
Calculated formula	C132 H156 Br12 Co8 N72 O17.92
Title of publication	Insight into the construction of metal‒organic polyhedra: metal‒organic cubes as a case study
Authors of publication	Alkordi, Mohamed H.; Belof, Jonathan L.; Rivera, Edwin; Wojtas, Lukasz; Eddaoudi, Mohamed
Journal of publication	Chemical Science
Year of publication	2011
Journal volume	2
Journal issue	9
Pages of publication	1695
a	17.758 ± 0.005 Å
b	19.38 ± 0.003 Å
c	24.772 ± 0.006 Å
α	90°
β	90.257 ± 0.016°
γ	90°
Cell volume	8525 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1959
Residual factor for significantly intense reflections	0.0826
Weighted residual factors for significantly intense reflections	0.1984
Weighted residual factors for all reflections included in the refinement	0.2615
Goodness-of-fit parameter for all reflections included in the refinement	0.975
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1515632.cif
111890	2014-04-28	cif/ Adding structures of 1515631, 1515632, 1515633, 1515634, 1515635, 1515636, 1515637, 1515638, 1515639, 1515640 via cif-deposit CGI script.	1515632.cif