Crystallography Open Database

Information card for entry 7227182

Preview

Coordinates	7227182.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C67 H59 Cl3 Cu3 N12 O20
Calculated formula	C67 H55 Cl3 Cu3 N12 O20
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	12.732 ± 0.0002 Å
b	14.2382 ± 0.0002 Å
c	21.2459 ± 0.0005 Å
α	81.567 ± 0.001°
β	73.329 ± 0.001°
γ	80.109 ± 0.001°
Cell volume	3615.35 ± 0.12 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1179
Residual factor for significantly intense reflections	0.0626
Weighted residual factors for significantly intense reflections	0.1619
Weighted residual factors for all reflections included in the refinement	0.1934
Goodness-of-fit parameter for all reflections included in the refinement	1.016
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
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.	7227182.cif
188729	2016-11-29	cif/ Adding structures of 7227182, 7227183, 7227184, 7227185, 7227186, 7227187 via cif-deposit CGI script.	7227182.cif