Crystallography Open Database

Information card for entry 7223925

Preview

Coordinates	7223925.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H21 N7 O6 Zn
Calculated formula	C31 H21 N7 O6 Zn
Title of publication	Thermodynamically stable MOF showing a highly rare four-connectedhxg-d-4-Cccmnet with self-penetration, polyrotaxane, and polycatenane multi-features
Authors of publication	Zhang, Le; Feng, Xue Feng; Meng, Pan Pan; Gong, Le Le; Luo, Feng
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	10
Pages of publication	1693
a	10.882 ± 0.003 Å
b	11.386 ± 0.003 Å
c	20.627 ± 0.005 Å
α	100.75 ± 0.02°
β	103.307 ± 0.016°
γ	103.024 ± 0.018°
Cell volume	2345.3 ± 1.1 Å³
Cell temperature	148 ± 2 K
Ambient diffraction temperature	148 ± 2 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	0.1348
Residual factor for significantly intense reflections	0.0806
Weighted residual factors for significantly intense reflections	0.2046
Weighted residual factors for all reflections included in the refinement	0.2256
Goodness-of-fit parameter for all reflections included in the refinement	0.912
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
177749 (current)	2016-03-05	cif/ Updating files of 7223924, 7223925 Original log message: Adding full bibliography for 7223924--7223925.cif.	7223925.cif
174558	2016-01-19	cif/ Adding structures of 7223924, 7223925 via cif-deposit CGI script.	7223925.cif