Crystallography Open Database

Information card for entry 1508086

Preview

Coordinates	1508086.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H8 Cu2 N2 O12
Calculated formula	C38 H8 Cu2 N2 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	15.7125 ± 0.0003 Å
b	15.7125 ± 0.0003 Å
c	47.3137 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	11680.9 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.0501
Residual factor for significantly intense reflections	0.045
Weighted residual factors for significantly intense reflections	0.1267
Weighted residual factors for all reflections included in the refinement	0.1299
Goodness-of-fit parameter for all reflections included in the refinement	0.975
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
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.	1508086.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1508086.cif
62632	2012-07-09	cif/ Adding structures of 1508086 via cif-deposit CGI script.	1508086.cif