Crystallography Open Database

Information card for entry 7214669

Preview

Coordinates	7214669.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H78 Br12 Cu12 N12 O39 Sm4
Calculated formula	C72 H48 Br12 Cu12 N12 O39 Sm4
Title of publication	A series of 3d‒4f heterometallic coordination polymers constructed from size-tunable copper halide clusters and lanthanide-organic motifs
Authors of publication	Peng, Guo; Liu, Zhihui; Ma, Li; Liang, Li; Zhang, Limin; Kostakis, George. E; Deng, Hong
Journal of publication	CrystEngComm
Year of publication	2012
Journal volume	14
Journal issue	18
Pages of publication	5974
a	9.851 ± 0.004 Å
b	14.822 ± 0.006 Å
c	20.233 ± 0.009 Å
α	73.448 ± 0.005°
β	82.987 ± 0.005°
γ	77.721 ± 0.005°
Cell volume	2761 ± 2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0763
Residual factor for significantly intense reflections	0.0536
Weighted residual factors for significantly intense reflections	0.1271
Weighted residual factors for all reflections included in the refinement	0.1395
Goodness-of-fit parameter for all reflections included in the refinement	1.015
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7214669.cif
110941	2014-04-20	cif/ Adding structures of 7214669, 7214670, 7214671, 7214672, 7214673, 7214674, 7214675, 7214676 via cif-deposit CGI script.	7214669.cif