Crystallography Open Database

Information card for entry 7227186

Preview

Coordinates	7227186.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C141 H167 Cu9 N21 O55
Calculated formula	C141 H135 Cu9 N21 O55
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	22.535 ± 0.003 Å
b	22.535 ± 0.003 Å
c	29.635 ± 0.006 Å
α	90°
β	90°
γ	120°
Cell volume	13033 ± 4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	146
Hermann-Mauguin space group symbol	R 3 :H
Hall space group symbol	R 3
Residual factor for all reflections	0.0668
Residual factor for significantly intense reflections	0.0654
Weighted residual factors for significantly intense reflections	0.1803
Weighted residual factors for all reflections included in the refinement	0.1829
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation wavelength	0.7293 Å
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.	7227186.cif
188729	2016-11-29	cif/ Adding structures of 7227182, 7227183, 7227184, 7227185, 7227186, 7227187 via cif-deposit CGI script.	7227186.cif