Crystallography Open Database

Information card for entry 7116277

Preview

Coordinates	7116277.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	17.7179 ± 0.0007 Å
b	17.7179 ± 0.0007 Å
c	27.5566 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	8650.7 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	134
Hermann-Mauguin space group symbol	P 42/n n m :2
Hall space group symbol	-P 4ac 2bc
Residual factor for all reflections	0.1075
Residual factor for significantly intense reflections	0.0778
Weighted residual factors for significantly intense reflections	0.2123
Weighted residual factors for all reflections included in the refinement	0.2355
Goodness-of-fit parameter for all reflections included in the refinement	1.102
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.	7116277.cif
133084	2015-03-06	cif/ Updating files of 7116274, 7116275, 7116276, 7116277, 7116278 Original log message: Adding full bibliography for 7116274--7116278.cif.	7116277.cif
129368	2015-01-06	cif/ Adding structures of 7116274, 7116275, 7116276, 7116277, 7116278 via cif-deposit CGI script.	7116277.cif