Crystallography Open Database

Information card for entry 7221985

7221984 << 7221985 >> 7221986

Preview

Coordinates	7221985.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57 H54 N6 O48.96 S3 Zn9
Calculated formula	C57 H54 N6 O48.96 S3 Zn9
Title of publication	In situ variable-temperature single crystal X-ray diffraction studies of the single-crystal-to-single-crystal dehydration and rehydration of a mixed-ligand 2D zinc metal‒organic framework using trimesate and 4,4′-bipyridine-N,N′-dioxide as ligands
Authors of publication	Tahier, Tayyibah; Oliver, Clive L.
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	46
Pages of publication	8946
a	18.795 ± 0.018 Å
b	18.795 Å
c	21.47 ± 0.02 Å
α	90°
β	90°
γ	120°
Cell volume	6568 ± 9 Å³
Cell temperature	323 K
Ambient diffraction temperature	323 K
Number of distinct elements	6
Space group number	146
Hermann-Mauguin space group symbol	R 3
Hall space group symbol	R 3
Residual factor for all reflections	0.0539
Residual factor for significantly intense reflections	0.0482
Weighted residual factors for significantly intense reflections	0.1347
Weighted residual factors for all reflections included in the refinement	0.1372
Goodness-of-fit parameter for all reflections included in the refinement	1.066
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
173745 (current)	2016-01-09	cif/ Updating files of 7221983, 7221984, 7221985, 7221986, 7221987, 7221988 Original log message: Adding full bibliography for 7221983--7221988.cif.	7221985.cif
153920	2015-09-04	cif/ Adding structures of 7221983, 7221984, 7221985, 7221986, 7221987, 7221988 via cif-deposit CGI script.	7221985.cif