Crystallography Open Database

Information card for entry 7223924

Preview

Coordinates	7223924.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H46 N14 O14 Zn2
Calculated formula	C62 H46 N14 O14 Zn2
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	30.8851 ± 0.0018 Å
b	17.4665 ± 0.001 Å
c	20.3272 ± 0.0014 Å
α	90°
β	127.705 ± 0.006°
γ	90°
Cell volume	8675.7 ± 1.2 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 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	0.1326
Residual factor for significantly intense reflections	0.1108
Weighted residual factors for significantly intense reflections	0.2973
Weighted residual factors for all reflections included in the refinement	0.3102
Goodness-of-fit parameter for all reflections included in the refinement	1.105
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.	7223924.cif
174558	2016-01-19	cif/ Adding structures of 7223924, 7223925 via cif-deposit CGI script.	7223924.cif