Crystallography Open Database

Information card for entry 2020965

2020964 << 2020965 >> 2020966

Preview

Structure parameters

Chemical name	9,9-Bis(2-hydroxyethyl)-2,7-bis(pyridin-4-yl)fluorene
Formula	C27 H24 N2 O2
Calculated formula	C27 H24 N2 O2
SMILES	c1cc(ccn1)c1cc2c(cc1)c1ccc(cc1C2(CCO)CCO)c1ccncc1
Title of publication	Characterization and gas adsorption of a novel three-dimensional metal‒organic framework (MOF) generated from a new polydentate fluorene-bridged ligand
Authors of publication	Han, Shu-Ying; Niu, Xue; Wang, Jia; Jin, Guo-Xia; Liu, Ai; Ma, Jian-Ping
Journal of publication	Acta Crystallographica Section C
Year of publication	2018
Journal volume	74
Journal issue	2
a	18.4485 ± 0.0004 Å
b	11.6452 ± 0.0003 Å
c	19.5931 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	4209.31 ± 0.18 Å³
Cell temperature	130 ± 4 K
Ambient diffraction temperature	130 ± 4 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0436
Residual factor for significantly intense reflections	0.0374
Weighted residual factors for significantly intense reflections	0.0889
Weighted residual factors for all reflections included in the refinement	0.0934
Goodness-of-fit parameter for all reflections included in the refinement	1.077
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2020965.html