Crystallography Open Database

Information card for entry 7112164

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Coordinates	7112164.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H40 Cd2 N4 O8
Calculated formula	C40 H40 Cd2 N4 O8
Title of publication	Metal-organic frameworks as stationary phases for mixed-mode separation applications
Authors of publication	Turner, David R.; Hawes, Chris S.; Batten, Stuart R.; Knowles, Gregory P.; Chaffee, Alan L.; Nolvachai, Yada; Kulsing, Chadin; Marriott, Philip J.
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	3735
a	21.722 ± 0.004 Å
b	39.084 ± 0.008 Å
c	17.966 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	15253 ± 5 Å³
Cell temperature	273 K
Ambient diffraction temperature	273.15 K
Number of distinct elements	5
Space group number	64
Hermann-Mauguin space group symbol	C m c a
Hall space group symbol	-C 2ac 2
Residual factor for all reflections	0.0964
Residual factor for significantly intense reflections	0.0788
Weighted residual factors for significantly intense reflections	0.2379
Weighted residual factors for all reflections included in the refinement	0.2524
Goodness-of-fit parameter for all reflections included in the refinement	0.983
Diffraction radiation wavelength	0.7108 Å
Diffraction radiation type	Synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7112164.cif
132658	2015-03-03	cod/ (antanas@echidna.ibt.lt) Removing unrecognised tags containing already present bibliographical information from 32 CIFs.	7112164.cif
107453	2014-03-19	cif/ Adding structures of 7112164 via cif-deposit CGI script.	7112164.cif