Crystallography Open Database

Information card for entry 4122828

Preview

Coordinates	4122828.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H34 Co N2 O6
Calculated formula	C36 H34 Co N2 O6
Title of publication	Tuning the luminescence of metal-organic frameworks for detection of energetic heterocyclic compounds.
Authors of publication	Guo, Yuexin; Feng, Xiao; Han, Tianyu; Wang, Shan; Lin, Zhengguo; Dong, Yuping; Wang, Bo
Journal of publication	Journal of the American Chemical Society
Year of publication	2014
Journal volume	136
Journal issue	44
Pages of publication	15485 - 15488
a	6 ± 0.0012 Å
b	7 ± 0.0014 Å
c	17.422 ± 0.003 Å
α	96.72 ± 0.03°
β	96.87 ± 0.03°
γ	96 ± 0.03°
Cell volume	716.2 ± 0.3 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 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	0.0309
Residual factor for significantly intense reflections	0.0291
Weighted residual factors for significantly intense reflections	0.0773
Weighted residual factors for all reflections included in the refinement	0.0785
Goodness-of-fit parameter for all reflections included in the refinement	1.087
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
179030 (current)	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/28.	4122828.cif
127052	2014-11-12	cif/ Updating files of 4122826, 4122827, 4122828 Original log message: Adding full bibliography for 4122826--4122828.cif.	4122828.cif
125692	2014-10-22	cif/ Adding structures of 4122828 via cif-deposit CGI script.	4122828.cif