Crystallography Open Database

Information card for entry 1549717

Preview

Coordinates	1549717.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39.5 H48.9 N6.5 O16.2 Zn2
Calculated formula	C28 H12 N2 O12 Zn2
Title of publication	Two metal‒organic frameworks based on pyridyl‒tricarboxylate ligands as size-selective catalysts for solvent-free cyanosilylation reaction
Authors of publication	Zhang, Yiwen; Su, Kongzhao; Hao, Miao; Liu, Lin; Han, Zheng-Bo; Yuan, Daqiang
Journal of publication	CrystEngComm
Year of publication	2018
Journal volume	20
Journal issue	39
Pages of publication	6070
a	25.386 ± 0.003 Å
b	25.15 ± 0.003 Å
c	17.6282 ± 0.0017 Å
α	90°
β	114.178 ± 0.003°
γ	90°
Cell volume	10268 ± 2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.1643
Residual factor for significantly intense reflections	0.0798
Weighted residual factors for significantly intense reflections	0.2117
Weighted residual factors for all reflections included in the refinement	0.2465
Goodness-of-fit parameter for all reflections included in the refinement	1.005
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
228970 (current)	2019-11-17	cif/ Updating files of 1549717, 1549718 Original log message: Adding full bibliography for 1549717--1549718.cif.	1549717.cif
209223	2018-07-24	cif/ Adding structures of 1549717, 1549718 via cif-deposit CGI script.	1549717.cif