Crystallography Open Database

Information card for entry 7055005

Preview

Coordinates	7055005.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C63 H73 Cd2.5 N9 Na O19
Calculated formula	C60 H65.95 Cd2.5 N8 Na O18
Title of publication	Cluster-based metal‒organic frameworks as sensitive and selective luminescent probes for sensing nitro explosives
Authors of publication	Hu, Xiao-Li; Qin, Chao; Wang, Xin-Long; Shao, Kui-Zhan; Su, Zhong-Min
Journal of publication	New J. Chem.
Year of publication	2015
Journal volume	39
Journal issue	10
Pages of publication	7858
a	25.45 ± 0.005 Å
b	11.928 ± 0.005 Å
c	25.835 ± 0.005 Å
α	90°
β	116.777 ± 0.005°
γ	90°
Cell volume	7002 ± 4 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.224
Residual factor for significantly intense reflections	0.0979
Weighted residual factors for significantly intense reflections	0.244
Weighted residual factors for all reflections included in the refinement	0.3129
Goodness-of-fit parameter for all reflections included in the refinement	1.006
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176429 (current)	2016-02-13	cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary.	7055005.cif
162047	2015-10-09	cif/ Updating files of 7055005 Original log message: Adding full bibliography for 7055005.cif.	7055005.cif
152326	2015-07-21	cif/ Adding structures of 7055005 via cif-deposit CGI script.	7055005.cif