Crystallography Open Database

Information card for entry 7057618

Preview

Coordinates	7057618.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H38 K N12 O14 Zn2
Calculated formula	C49.98 H30 K N12 O14 Zn2
Title of publication	A 3D metal‒organic framework with dual-aerial-octahedral trinucleate building units: synthesis, structure and fluorescence sensing properties
Authors of publication	Zhao, Yan-Ning; Zhang, Shu-Ran; Wang, Wei; Xu, Yan-Hong; Che, Guang-Bo
Journal of publication	New Journal of Chemistry
Year of publication	2018
Journal volume	42
Journal issue	17
Pages of publication	14648
a	19.63 ± 0.005 Å
b	19.63 ± 0.005 Å
c	19.63 ± 0.005 Å
α	90 ± 0.005°
β	90 ± 0.005°
γ	90 ± 0.005°
Cell volume	7564 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	205
Hermann-Mauguin space group symbol	P a -3
Hall space group symbol	-P 2ac 2ab 3
Residual factor for all reflections	0.143
Residual factor for significantly intense reflections	0.1343
Weighted residual factors for significantly intense reflections	0.3903
Weighted residual factors for all reflections included in the refinement	0.399
Goodness-of-fit parameter for all reflections included in the refinement	2.188
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
230283 (current)	2019-11-17	cif/ Updating files of 7057618 Original log message: Adding full bibliography for 7057618.cif.	7057618.cif
209410	2018-08-07	cif/ Adding structures of 7057618 via cif-deposit CGI script.	7057618.cif