Crystallography Open Database

Information card for entry 1508090

Preview

Coordinates	1508090.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H32 Cu2 O12
Calculated formula	C60 H32 Cu2 O12
Title of publication	A series of isoreticular chiral metal-organic frameworks as a tunable platform for asymmetric catalysis.
Authors of publication	Ma, Liqing; Falkowski, Joseph M.; Abney, Carter; Lin, Wenbin
Journal of publication	Nature chemistry
Year of publication	2010
Journal volume	2
Journal issue	10
Pages of publication	838 - 846
a	30.9491 ± 0.0013 Å
b	30.9491 ± 0.0013 Å
c	80.725 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	77322 ± 5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	98
Hermann-Mauguin space group symbol	I 41 2 2
Hall space group symbol	I 4bw 2bw
Residual factor for all reflections	0.162
Residual factor for significantly intense reflections	0.1249
Weighted residual factors for significantly intense reflections	0.3043
Weighted residual factors for all reflections included in the refinement	0.3226
Goodness-of-fit parameter for all reflections included in the refinement	1.323
Diffraction radiation wavelength	1.54178 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.	1508090.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1508090.cif
62636	2012-07-09	cif/ Adding structures of 1508090 via cif-deposit CGI script.	1508090.cif