Crystallography Open Database

Information card for entry 7035564

Preview

Coordinates	7035564.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H18 Cu2 N2 O15
Calculated formula	C23 H15 Cu2 N2 O15
Title of publication	Aminopyridine derivatives controlled the assembly and various properties of Cu-BTC metal-organic frameworks.
Authors of publication	Wang, Xiuli; Le, Mao; Lin, Hongyan; Luan, Jian; Liu, Guocheng; Liu, Danna
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	31
Pages of publication	14008 - 14018
a	6.9343 ± 0.0005 Å
b	10.9163 ± 0.0009 Å
c	16.8658 ± 0.0013 Å
α	95.788 ± 0.001°
β	94.361 ± 0.001°
γ	96.855 ± 0.001°
Cell volume	1256.08 ± 0.17 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0444
Residual factor for significantly intense reflections	0.0387
Weighted residual factors for significantly intense reflections	0.1002
Weighted residual factors for all reflections included in the refinement	0.1035
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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
153168 (current)	2015-08-08	cif/ Updating files of 7035564, 7035565, 7035566 Original log message: Adding full bibliography for 7035564--7035566.cif.	7035564.cif
139710	2015-06-27	cif/ Adding structures of 7035564, 7035565, 7035566 via cif-deposit CGI script.	7035564.cif