Crystallography Open Database

Information card for entry 7217699

Preview

Coordinates	7217699.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H30 Cu N8 O12
Calculated formula	C34 H30 Cu N8 O12
Title of publication	Cooperative lone pair‒π and coordination interactions in naphthalene diimide coordination networks
Authors of publication	Fang, Xin; Yuan, Xiong; Song, Yan-Bo; Wang, Jun-Dong; Lin, Mei-Jin
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	38
Pages of publication	9090
a	19.379 ± 0.003 Å
b	19.379 ± 0.003 Å
c	23.744 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	8917 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	122
Hermann-Mauguin space group symbol	I -4 2 d
Hall space group symbol	I -4 2bw
Residual factor for all reflections	0.163
Residual factor for significantly intense reflections	0.0913
Weighted residual factors for significantly intense reflections	0.2315
Weighted residual factors for all reflections included in the refinement	0.2719
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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
180507 (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 7/21/76.	7217699.cif
124675	2014-10-06	cif/ Updating files of 7217694, 7217695, 7217696, 7217697, 7217698, 7217699, 7217700 Original log message: Adding full bibliography for 7217694--7217700.cif.	7217699.cif
121895	2014-08-13	cif/ Adding structures of 7217694, 7217695, 7217696, 7217697, 7217698, 7217699, 7217700 via cif-deposit CGI script.	7217699.cif