Crystallography Open Database

Information card for entry 7216803

Preview

Coordinates	7216803.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H48.5 N2.5 O20 Sm2
Calculated formula	C40 H38.5 N2.5 O20.5 Sm2
Title of publication	Synthesis, structures and luminescent properties of lanthanide coordination polymers involving biphenyl-3,4′,5-tricarboxylate
Authors of publication	Li, Xiang-Ying; Lin, Zu-Jin; Yang, Yan-Yan; Cao, Rong
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	28
Pages of publication	6425
a	19.8953 ± 0.0003 Å
b	18.6848 ± 0.0002 Å
c	27.9037 ± 0.0004 Å
α	90°
β	107.266 ± 0.001°
γ	90°
Cell volume	9905.5 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0527
Residual factor for significantly intense reflections	0.0359
Weighted residual factors for significantly intense reflections	0.0825
Weighted residual factors for all reflections included in the refinement	0.0933
Goodness-of-fit parameter for all reflections included in the refinement	1.077
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7216803.cif
118212	2014-06-27	cif/ Adding structures of 7216799, 7216800, 7216801, 7216802, 7216803, 7216804, 7216805, 7216806, 7216807 via cif-deposit CGI script.	7216803.cif