Crystallography Open Database

Information card for entry 7116278

Preview

Coordinates	7116278.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H9 Cu2 N2 O10
Calculated formula	C19 H9 Cu2 N2 O10
Title of publication	Solvent induced single-crystal to single-crystal structural transformation and concomitant transmetalation in a 3D cationic Zn(ii)-framework.
Authors of publication	Sen, Susan; Neogi, Subhadip; Rissanen, Kari; Bharadwaj, Parimal K.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2015
Journal volume	51
Journal issue	15
Pages of publication	3173 - 3176
a	25.4117 ± 0.0014 Å
b	25.4117 ± 0.0014 Å
c	52.162 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	33684 ± 5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	141
Hermann-Mauguin space group symbol	I 41/a m d :2
Hall space group symbol	-I 4bd 2
Residual factor for all reflections	0.1595
Residual factor for significantly intense reflections	0.0692
Weighted residual factors for significantly intense reflections	0.1574
Weighted residual factors for all reflections included in the refinement	0.1873
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
180276 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/62.	7116278.cif
133084	2015-03-06	cif/ Updating files of 7116274, 7116275, 7116276, 7116277, 7116278 Original log message: Adding full bibliography for 7116274--7116278.cif.	7116278.cif
129368	2015-01-06	cif/ Adding structures of 7116274, 7116275, 7116276, 7116277, 7116278 via cif-deposit CGI script.	7116278.cif