Crystallography Open Database

Information card for entry 7209776

7209775 << 7209776 >> 7209777

Preview

Coordinates	7209776.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C61.5 H69.5 N4.5 O24.5 Zn4
Calculated formula	C48 H37.98 O20 Zn4
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	23.6899 ± 0.0004 Å
b	23.6899 ± 0.0004 Å
c	30.8058 ± 0.0007 Å
α	90°
β	90°
γ	120°
Cell volume	14972.3 ± 0.5 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	5
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0561
Residual factor for significantly intense reflections	0.0465
Weighted residual factors for significantly intense reflections	0.135
Weighted residual factors for all reflections included in the refinement	0.14
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.	7209776.cif
86095	2013-05-09	cif/ Adding structures of 7209776, 7209777, 7209778, 7209779 via cif-deposit CGI script.	7209776.cif