Crystallography Open Database

Information card for entry 7219324

7219323 << 7219324 >> 7219325

Preview

Coordinates	7219324.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H8 Cu2 N2 O8
Calculated formula	C12 H8 Cu2 N2 O8
Title of publication	In situ generation of functionality in a reactive binicotinic-acid-based ligand for the design of multi-functional copper(ii) complexes: syntheses, structures and properties
Authors of publication	Deng, Dongsheng; Guo, Hui; Kang, Guohui; Ma, Lufang; He, Xu; Ji, Baoming
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	8
Pages of publication	1871
a	18.211 ± 0.003 Å
b	5.1283 ± 0.001 Å
c	13.915 ± 0.003 Å
α	90°
β	96.803 ± 0.002°
γ	90°
Cell volume	1290.4 ± 0.4 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0391
Residual factor for significantly intense reflections	0.0296
Weighted residual factors for significantly intense reflections	0.0724
Weighted residual factors for all reflections included in the refinement	0.0777
Goodness-of-fit parameter for all reflections included in the refinement	1.022
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
180524 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/93.	7219324.cif
133233	2015-03-06	cif/ Updating files of 7219323, 7219324, 7219325, 7219326, 7219327 Original log message: Adding full bibliography for 7219323--7219327.cif.	7219324.cif
129704	2015-01-17	cif/ Adding structures of 7219323, 7219324, 7219325, 7219326, 7219327 via cif-deposit CGI script.	7219324.cif