Crystallography Open Database

Information card for entry 4512709

Preview

Coordinates	4512709.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H42 N6 O8 Zn2
Calculated formula	C60 H42 N6 O8 Zn2
Title of publication	Syntheses, Characterizations, Luminescent Properties, and Controlling Interpenetration of Five Metal‒Organic Frameworks Based on Bis(4-(pyridine-4-yl)phenyl)amine
Authors of publication	Wang, Zhong-Jie; Qin, Ling; Zhang, Xin; Chen, Jin-Xi; Zheng, He-Gen
Journal of publication	Crystal Growth & Design
Year of publication	2015
Journal volume	15
Journal issue	3
Pages of publication	1303
a	20.013 ± 0.004 Å
b	14.177 ± 0.003 Å
c	33.261 ± 0.005 Å
α	90°
β	117.343 ± 0.009°
γ	90°
Cell volume	8383 ± 3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1584
Residual factor for significantly intense reflections	0.0885
Weighted residual factors for significantly intense reflections	0.2268
Weighted residual factors for all reflections included in the refinement	0.2447
Goodness-of-fit parameter for all reflections included in the refinement	0.947
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
179675 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/27.	4512709.cif
134750	2015-04-04	cif/ Updating files of 4512709, 4512710, 4512711, 4512712, 4512713 Original log message: Adding full bibliography for 4512709--4512713.cif.	4512709.cif
131785	2015-02-13	cif/ Adding structures of 4512709, 4512710, 4512711, 4512712, 4512713 via cif-deposit CGI script.	4512709.cif