Crystallography Open Database

Information card for entry 4513992

Preview

Coordinates	4513992.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23.25 H15.5 Cl7.75 Cu N4 O3.25
Calculated formula	C23.348 H15.348 Cl7.696 Cu N4 O3.304
Title of publication	Tunable Electrical Conductivity and Magnetic Property of the Two Dimensional Metal Organic Framework [Cu(TPyP)Cu2(O2CCH3)4]
Authors of publication	Sengupta, Ananya; Datta, Subhadeep; Su, Chenliang; Herng, Tun Seng; Ding, Jun; Vittal, Jagadese J.; Loh, Kian Ping
Journal of publication	ACS Applied Materials & Interfaces
Year of publication	2016
Journal volume	8
Journal issue	25
Pages of publication	16154
a	13.636 ± 0.003 Å
b	13.636 ± 0.003 Å
c	19.467 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	3619.7 ± 1.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	94
Hermann-Mauguin space group symbol	P 42 21 2
Hall space group symbol	P 4n 2n
Residual factor for all reflections	0.0967
Residual factor for significantly intense reflections	0.0864
Weighted residual factors for significantly intense reflections	0.2353
Weighted residual factors for all reflections included in the refinement	0.2439
Goodness-of-fit parameter for all reflections included in the refinement	0.994
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
189224 (current)	2016-12-19	cif/ Adding structures of 4513992 via cif-deposit CGI script.	4513992.cif