Crystallography Open Database

Information card for entry 1515633

Preview

Coordinates	1515633.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C138 H156 Cl16 Co10 N72 O11.5 S3
Calculated formula	C138 H156 Cl16 Co10 N72 O11.52 S3
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	28.55 ± 0.002 Å
b	22.5268 ± 0.0019 Å
c	19.4189 ± 0.0016 Å
α	90°
β	131.977 ± 0.003°
γ	90°
Cell volume	9284.5 ± 1.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.174
Residual factor for significantly intense reflections	0.0833
Weighted residual factors for significantly intense reflections	0.2286
Weighted residual factors for all reflections included in the refinement	0.2748
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1515633.cif
111890	2014-04-28	cif/ Adding structures of 1515631, 1515632, 1515633, 1515634, 1515635, 1515636, 1515637, 1515638, 1515639, 1515640 via cif-deposit CGI script.	1515633.cif