Crystallography Open Database

Information card for entry 7227184

Preview

Coordinates	7227184.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H33 Cu2 N4 O12.5
Calculated formula	C34 H32 Cu2 N4 O12.5
Title of publication	Tailor-made copper(ii) coordination polymers based on the C3 symmetric methanetriacetate as a ligand
Authors of publication	Martínez-Benito, Carla; Pasán, Jorge; Martín, Tomás; Lago, Ana B.; Julve, Miguel; Ruiz-Pérez, Catalina
Journal of publication	CrystEngComm
Year of publication	2017
Journal volume	19
Journal issue	2
Pages of publication	376
a	8.3536 ± 0.0003 Å
b	10.032 ± 0.0004 Å
c	10.2798 ± 0.0004 Å
α	87.419 ± 0.004°
β	86.088 ± 0.003°
γ	78.661 ± 0.004°
Cell volume	842.26 ± 0.06 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0266
Residual factor for significantly intense reflections	0.0257
Weighted residual factors for significantly intense reflections	0.0655
Weighted residual factors for all reflections included in the refinement	0.0662
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
191552 (current)	2017-02-04	cif/ Updating files of 7227182, 7227183, 7227184, 7227185, 7227186, 7227187 Original log message: Adding full bibliography for 7227182--7227187.cif.	7227184.cif
188729	2016-11-29	cif/ Adding structures of 7227182, 7227183, 7227184, 7227185, 7227186, 7227187 via cif-deposit CGI script.	7227184.cif