Crystallography Open Database

Information card for entry 7211367

Preview

Coordinates	7211367.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H30 Cd5 N26 O14
Calculated formula	C46 H30 Cd5 N26 O14
Title of publication	Two photoluminescent metal‒organic frameworks with highly-connected topological nets
Authors of publication	Yang, E.; Ding, Qing-Rong; Kang, Yao; Wang, Fei
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	48
Pages of publication	10563
a	9.9643 ± 0.0005 Å
b	11.976 ± 0.0006 Å
c	12.4981 ± 0.0007 Å
α	67.931 ± 0.005°
β	76.363 ± 0.005°
γ	80.105 ± 0.004°
Cell volume	1337.44 ± 0.13 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0423
Residual factor for significantly intense reflections	0.0366
Weighted residual factors for significantly intense reflections	0.0962
Weighted residual factors for all reflections included in the refinement	0.1015
Goodness-of-fit parameter for all reflections included in the refinement	1.016
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180444 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/13.	7211367.cif
91448	2013-12-13	cif/ Adding structures of 7211367, 7211368 via cif-deposit CGI script.	7211367.cif