Crystallography Open Database

Information card for entry 1520080

1520079 << 1520080 >> 1520081

Preview

Coordinates	1520080.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C65 H69 N7 O44.17 Zn6
Calculated formula	C65 H69 N7 O44.1666 Zn6
Title of publication	Three luminescent metal‒organic frameworks constructed from trinuclear zinc(ii) clusters and furan-2,5-dicarboxylate
Authors of publication	Li, Huan-Huan; Niu, Zheng; Chen, Long; Jiang, Hao-Bin; Wang, Ya-Ping; Cheng, Peng
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	27
Pages of publication	5101
a	12.6947 ± 0.0008 Å
b	12.8242 ± 0.0006 Å
c	14.7971 ± 0.0007 Å
α	85.11 ± 0.004°
β	65.988 ± 0.005°
γ	89.663 ± 0.004°
Cell volume	2191.4 ± 0.2 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0708
Residual factor for significantly intense reflections	0.0581
Weighted residual factors for significantly intense reflections	0.1542
Weighted residual factors for all reflections included in the refinement	0.1672
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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
143432 (current)	2015-07-10	cif/ Updating files of 1520079, 1520080, 1520081 Original log message: Adding full bibliography for 1520079--1520081.cif.	1520080.cif
137517	2015-05-29	cif/ Adding structures of 1520079, 1520080, 1520081 via cif-deposit CGI script.	1520080.cif