Crystallography Open Database

Information card for entry 7225646

Preview

Coordinates	7225646.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H14 Cd N4 O4
Calculated formula	C20 H14 Cd N4 O4
Title of publication	Thermally-induced single-crystal-to-single-crystal transformations from a 2D two-fold interpenetrating square lattice layer to a 3D four-fold interpenetrating diamond framework and its application in dye-sensitized solar cells.
Authors of publication	Gao, Song; Fan, Rui Qing; Wang, Xin Ming; Wei, Li Guo; Song, Yang; Du, Xi; Xing, Kai; Wang, Ping; Yang, Yu Lin
Journal of publication	Physical chemistry chemical physics : PCCP
Year of publication	2016
Journal volume	18
Journal issue	28
Pages of publication	19001 - 19010
a	13.846 ± 0.003 Å
b	16.556 ± 0.003 Å
c	8.239 ± 0.0016 Å
α	90°
β	90°
γ	90°
Cell volume	1888.7 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	52
Hermann-Mauguin space group symbol	P n n a
Hall space group symbol	-P 2a 2bc
Residual factor for all reflections	0.0419
Residual factor for significantly intense reflections	0.0318
Weighted residual factors for significantly intense reflections	0.0816
Weighted residual factors for all reflections included in the refinement	0.0865
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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
185673 (current)	2016-08-07	cif/ Updating files of 7225645, 7225646 Original log message: Adding full bibliography for 7225645--7225646.cif.	7225646.cif
183877	2016-06-23	cif/ Adding structures of 7225645, 7225646 via cif-deposit CGI script.	7225646.cif