Crystallography Open Database

Information card for entry 7227185

Preview

Coordinates	7227185.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H52 Cl2 Cu4 N8 O23
Calculated formula	C54 H52 Cl2 Cu4 N8 O23
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	17.3178 ± 0.0007 Å
b	19.003 ± 0.0003 Å
c	25.7513 ± 0.001 Å
α	90°
β	136.335 ± 0.007°
γ	90°
Cell volume	5851.1 ± 0.8 Å³
Cell temperature	150 ± 0.2 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0372
Residual factor for significantly intense reflections	0.0326
Weighted residual factors for significantly intense reflections	0.0869
Weighted residual factors for all reflections included in the refinement	0.0909
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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