Crystallography Open Database

Information card for entry 7209779

7209778 << 7209779 >> 7209780

Preview

Coordinates	7209779.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H18 O2
Calculated formula	C16 H18 O2
SMILES	c1(cc(ccc1c1c(cc(cc1)C)OC)C)OC
Title of publication	Syntheses, structures and luminescence properties of novel metal‒organic frameworks based on zinc(ii), cadmium(ii) or lead(ii) and a 2,2′-dimethoxy-functionalised biphenyl linker
Authors of publication	Lestari, Witri Wahyu; Lönnecke, Peter; Sárosi, Menyhárt B.; Streit, Huayna Cerqueira; Adlung, Matthias; Wickleder, Claudia; Handke, Marcel; Einicke, Wolf-Dietrich; Gläser, Roger; Hey-Hawkins, Evamarie
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	19
Pages of publication	3874
a	15.1458 ± 0.0006 Å
b	20.2514 ± 0.0009 Å
c	8.6838 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	2663.5 ± 0.2 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	3
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.0429
Residual factor for significantly intense reflections	0.0376
Weighted residual factors for significantly intense reflections	0.1039
Weighted residual factors for all reflections included in the refinement	0.1061
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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
180428 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/97.	7209779.cif
86095	2013-05-09	cif/ Adding structures of 7209776, 7209777, 7209778, 7209779 via cif-deposit CGI script.	7209779.cif